The structure described by Ca is alpha La structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to six equivalent Ca(1) and six equivalent Ca(2) atoms to form a mixture of face, corner, and edge-sharing CaCa12 cuboctahedra. In the second Ca site, Ca(2) is bonded to six equivalent Ca(1) and six equivalent Ca(2) atoms to form a mixture of face, corner, and edge-sharing CaCa12 cuboctahedra. is represented by the CIF file [CIF]
data_Ca
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.958
_cell_length_b   3.958
_cell_length_c   12.869
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   174.560
_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
  Ca  Ca0  1  0.000  0.000  0.000  1.0
  Ca  Ca1  1  0.333  0.667  0.250  1.0
  Ca  Ca2  1  0.000  0.000  0.500  1.0
  Ca  Ca3  1  0.667  0.333  0.750  1.0
[/CIF]
.
The structure described by Ca is alpha La structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to six equivalent Ca(1) and six equivalent Ca(2) atoms to form a mixture of face, corner, and edge-sharing CaCa12 cuboctahedra. In the second Ca site, Ca(2) is bonded to six equivalent Ca(1) and six equivalent Ca(2) atoms to form a mixture of face, corner, and edge-sharing CaCa12 cuboctahedra. is represented by the CIF file [CIF]
data_Ca
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.958
_cell_length_b   3.958
_cell_length_c   12.869
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   174.560
_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
  Ca  Ca0  1  0.000  0.000  0.000  1.0
  Ca  Ca1  1  0.333  0.667  0.250  1.0
  Ca  Ca2  1  0.000  0.000  0.500  1.0
  Ca  Ca3  1  0.667  0.333  0.750  1.0
[/CIF]
.