The material structure described by BaSrCaWO6 crystallizes in the orthorhombic P222 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form distorted BaO12 cuboctahedra that share faces with four equivalent Sr(1)O6 octahedra and faces with four equivalent W(1)O6 octahedra. In the second Ba site, Ba(2) is bonded in a distorted q6 geometry to four equivalent O(4), four equivalent O(5), and four equivalent O(6) atoms. In the third Ba site, Ba(3) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(3) atoms. In the fourth Ba site, Ba(4) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(6) atoms. Sr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form SrO6 octahedra that share corners with six equivalent W(1)O6 octahedra and  a faceface with one Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 23-37°. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a square co-planar geometry to four equivalent O(5) atoms. In the second Ca site, Ca(2) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(6) atoms. In the third Ca site, Ca(3) is bonded in a 4-coordinate geometry to four equivalent O(3) and four equivalent O(4) atoms. In the fourth Ca site, Ca(4) is bonded in a rectangular see-saw-like geometry to four equivalent O(2) atoms. W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form WO6 octahedra that share corners with six equivalent Sr(1)O6 octahedra and  a faceface with one Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 23-37°. There are six inequivalent O sites. In the first O site, O(5) is bonded in a 3-coordinate geometry to one Ba(2), one Sr(1), one Ca(1), and one W(1) atom. In the second O site, O(6) is bonded in a 3-coordinate geometry to one Ba(2), one Ba(4), one Sr(1), one Ca(2), and one W(1) atom. In the third O site, O(1) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(4), one Sr(1), and one W(1) atom. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one Sr(1), one Ca(4), and one W(1) atom. In the fifth O site, O(3) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(3), one Sr(1), one Ca(3), and one W(1) atom. In the sixth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(2), one Sr(1), one Ca(3), and one W(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaSrCaWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.509
_cell_length_b   8.578
_cell_length_c   8.540
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   623.341
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Ba  Ba1  1  0.500  0.500  0.500  1.0
  Ba  Ba2  1  0.000  0.500  0.000  1.0
  Ba  Ba3  1  0.000  0.000  0.500  1.0
  Sr  Sr4  1  0.745  0.750  0.745  1.0
  Sr  Sr5  1  0.255  0.250  0.745  1.0
  Sr  Sr6  1  0.255  0.750  0.255  1.0
  Sr  Sr7  1  0.745  0.250  0.255  1.0
  Ca  Ca8  1  0.000  0.500  0.500  1.0
  Ca  Ca9  1  0.500  0.000  0.500  1.0
  Ca  Ca10  1  0.500  0.500  0.000  1.0
  Ca  Ca11  1  0.500  0.000  0.000  1.0
  W  W12  1  0.258  0.251  0.247  1.0
  W  W13  1  0.742  0.749  0.247  1.0
  W  W14  1  0.742  0.251  0.753  1.0
  W  W15  1  0.258  0.749  0.753  1.0
  O  O16  1  0.033  0.206  0.273  1.0
  O  O17  1  0.967  0.794  0.273  1.0
  O  O18  1  0.967  0.206  0.727  1.0
  O  O19  1  0.033  0.794  0.727  1.0
  O  O20  1  0.306  0.031  0.198  1.0
  O  O21  1  0.306  0.969  0.802  1.0
  O  O22  1  0.694  0.969  0.198  1.0
  O  O23  1  0.694  0.031  0.802  1.0
  O  O24  1  0.220  0.286  0.026  1.0
  O  O25  1  0.780  0.286  0.974  1.0
  O  O26  1  0.220  0.714  0.974  1.0
  O  O27  1  0.780  0.714  0.026  1.0
  O  O28  1  0.472  0.320  0.209  1.0
  O  O29  1  0.528  0.680  0.209  1.0
  O  O30  1  0.528  0.320  0.791  1.0
  O  O31  1  0.472  0.680  0.791  1.0
  O  O32  1  0.204  0.467  0.312  1.0
  O  O33  1  0.204  0.533  0.688  1.0
  O  O34  1  0.796  0.533  0.312  1.0
  O  O35  1  0.796  0.467  0.688  1.0
  O  O36  1  0.308  0.198  0.466  1.0
  O  O37  1  0.692  0.198  0.534  1.0
  O  O38  1  0.308  0.802  0.534  1.0
  O  O39  1  0.692  0.802  0.466  1.0
[/CIF]
.
The material structure described by BaSrCaWO6 crystallizes in the orthorhombic P222 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form distorted BaO12 cuboctahedra that share faces with four equivalent Sr(1)O6 octahedra and faces with four equivalent W(1)O6 octahedra. In the second Ba site, Ba(2) is bonded in a distorted q6 geometry to four equivalent O(4), four equivalent O(5), and four equivalent O(6) atoms. In the third Ba site, Ba(3) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(3) atoms. In the fourth Ba site, Ba(4) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(6) atoms. Sr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form SrO6 octahedra that share corners with six equivalent W(1)O6 octahedra and  a faceface with one Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 23-37°. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a square co-planar geometry to four equivalent O(5) atoms. In the second Ca site, Ca(2) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(6) atoms. In the third Ca site, Ca(3) is bonded in a 4-coordinate geometry to four equivalent O(3) and four equivalent O(4) atoms. In the fourth Ca site, Ca(4) is bonded in a rectangular see-saw-like geometry to four equivalent O(2) atoms. W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form WO6 octahedra that share corners with six equivalent Sr(1)O6 octahedra and  a faceface with one Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 23-37°. There are six inequivalent O sites. In the first O site, O(5) is bonded in a 3-coordinate geometry to one Ba(2), one Sr(1), one Ca(1), and one W(1) atom. In the second O site, O(6) is bonded in a 3-coordinate geometry to one Ba(2), one Ba(4), one Sr(1), one Ca(2), and one W(1) atom. In the third O site, O(1) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(4), one Sr(1), and one W(1) atom. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one Sr(1), one Ca(4), and one W(1) atom. In the fifth O site, O(3) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(3), one Sr(1), one Ca(3), and one W(1) atom. In the sixth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(2), one Sr(1), one Ca(3), and one W(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaSrCaWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.509
_cell_length_b   8.578
_cell_length_c   8.540
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   623.341
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Ba  Ba1  1  0.500  0.500  0.500  1.0
  Ba  Ba2  1  0.000  0.500  0.000  1.0
  Ba  Ba3  1  0.000  0.000  0.500  1.0
  Sr  Sr4  1  0.745  0.750  0.745  1.0
  Sr  Sr5  1  0.255  0.250  0.745  1.0
  Sr  Sr6  1  0.255  0.750  0.255  1.0
  Sr  Sr7  1  0.745  0.250  0.255  1.0
  Ca  Ca8  1  0.000  0.500  0.500  1.0
  Ca  Ca9  1  0.500  0.000  0.500  1.0
  Ca  Ca10  1  0.500  0.500  0.000  1.0
  Ca  Ca11  1  0.500  0.000  0.000  1.0
  W  W12  1  0.258  0.251  0.247  1.0
  W  W13  1  0.742  0.749  0.247  1.0
  W  W14  1  0.742  0.251  0.753  1.0
  W  W15  1  0.258  0.749  0.753  1.0
  O  O16  1  0.033  0.206  0.273  1.0
  O  O17  1  0.967  0.794  0.273  1.0
  O  O18  1  0.967  0.206  0.727  1.0
  O  O19  1  0.033  0.794  0.727  1.0
  O  O20  1  0.306  0.031  0.198  1.0
  O  O21  1  0.306  0.969  0.802  1.0
  O  O22  1  0.694  0.969  0.198  1.0
  O  O23  1  0.694  0.031  0.802  1.0
  O  O24  1  0.220  0.286  0.026  1.0
  O  O25  1  0.780  0.286  0.974  1.0
  O  O26  1  0.220  0.714  0.974  1.0
  O  O27  1  0.780  0.714  0.026  1.0
  O  O28  1  0.472  0.320  0.209  1.0
  O  O29  1  0.528  0.680  0.209  1.0
  O  O30  1  0.528  0.320  0.791  1.0
  O  O31  1  0.472  0.680  0.791  1.0
  O  O32  1  0.204  0.467  0.312  1.0
  O  O33  1  0.204  0.533  0.688  1.0
  O  O34  1  0.796  0.533  0.312  1.0
  O  O35  1  0.796  0.467  0.688  1.0
  O  O36  1  0.308  0.198  0.466  1.0
  O  O37  1  0.692  0.198  0.534  1.0
  O  O38  1  0.308  0.802  0.534  1.0
  O  O39  1  0.692  0.802  0.466  1.0
[/CIF]
.