The material structure described by CaAgGe crystallizes in the orthorhombic Pnma space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 12-coordinate geometry to three equivalent Ag(2), three equivalent Ag(3), three equivalent Ge(2), and three equivalent Ge(3) atoms. In the second Ca site, Ca(2) is bonded in a 12-coordinate geometry to one Ag(2), two equivalent Ag(3), three equivalent Ag(1), one Ge(3), two equivalent Ge(2), and three equivalent Ge(1) atoms. In the third Ca site, Ca(3) is bonded in a 12-coordinate geometry to one Ag(3), two equivalent Ag(2), three equivalent Ag(1), one Ge(2), two equivalent Ge(3), and three equivalent Ge(1) atoms. There are three inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 10-coordinate geometry to three equivalent Ca(2), three equivalent Ca(3), one Ag(2), and three equivalent Ge(1) atoms. In the second Ag site, Ag(2) is bonded in a 10-coordinate geometry to one Ca(2), two equivalent Ca(3), three equivalent Ca(1), one Ag(1), one Ge(3), and two equivalent Ge(2) atoms. In the third Ag site, Ag(3) is bonded in a 10-coordinate geometry to one Ca(3), two equivalent Ca(2), three equivalent Ca(1), one Ge(2), and three equivalent Ge(3) atoms. There are three inequivalent Ge sites. In the first Ge site, Ge(3) is bonded in a 10-coordinate geometry to one Ca(2), two equivalent Ca(3), three equivalent Ca(1), one Ag(2), and three equivalent Ag(3) atoms. In the second Ge site, Ge(1) is bonded in a 10-coordinate geometry to three equivalent Ca(2), three equivalent Ca(3), three equivalent Ag(1), and one Ge(2) atom. In the third Ge site, Ge(2) is bonded in a 10-coordinate geometry to one Ca(3), two equivalent Ca(2), three equivalent Ca(1), one Ag(3), two equivalent Ag(2), and one Ge(1) atom. is represented by the CIF card [CIF]
data_CaAgGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.562
_cell_length_b   7.850
_cell_length_c   21.569
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   772.459
_cell_formula_units_Z   12
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  0.250  0.219  0.000  1.0
  Ca  Ca1  1  0.250  0.281  0.500  1.0
  Ca  Ca2  1  0.750  0.781  1.000  1.0
  Ca  Ca3  1  0.750  0.719  0.500  1.0
  Ca  Ca4  1  0.250  0.207  0.334  1.0
  Ca  Ca5  1  0.250  0.293  0.834  1.0
  Ca  Ca6  1  0.750  0.793  0.666  1.0
  Ca  Ca7  1  0.750  0.707  0.166  1.0
  Ca  Ca8  1  0.250  0.208  0.667  1.0
  Ca  Ca9  1  0.250  0.292  0.167  1.0
  Ca  Ca10  1  0.750  0.792  0.333  1.0
  Ca  Ca11  1  0.750  0.708  0.833  1.0
  Ag  Ag12  1  0.250  0.912  0.764  1.0
  Ag  Ag13  1  0.250  0.588  0.264  1.0
  Ag  Ag14  1  0.750  0.088  0.236  1.0
  Ag  Ag15  1  0.750  0.412  0.736  1.0
  Ag  Ag16  1  0.250  0.919  0.904  1.0
  Ag  Ag17  1  0.250  0.581  0.404  1.0
  Ag  Ag18  1  0.750  0.081  0.096  1.0
  Ag  Ag19  1  0.750  0.419  0.596  1.0
  Ag  Ag20  1  0.250  0.918  0.564  1.0
  Ag  Ag21  1  0.250  0.582  0.064  1.0
  Ag  Ag22  1  0.750  0.082  0.436  1.0
  Ag  Ag23  1  0.750  0.418  0.936  1.0
  Ge  Ge24  1  0.250  0.583  0.728  1.0
  Ge  Ge25  1  0.250  0.917  0.228  1.0
  Ge  Ge26  1  0.750  0.417  0.272  1.0
  Ge  Ge27  1  0.750  0.083  0.772  1.0
  Ge  Ge28  1  0.250  0.911  0.103  1.0
  Ge  Ge29  1  0.250  0.589  0.603  1.0
  Ge  Ge30  1  0.750  0.089  0.897  1.0
  Ge  Ge31  1  0.750  0.411  0.397  1.0
  Ge  Ge32  1  0.250  0.593  0.927  1.0
  Ge  Ge33  1  0.250  0.907  0.427  1.0
  Ge  Ge34  1  0.750  0.407  0.073  1.0
  Ge  Ge35  1  0.750  0.093  0.573  1.0
[/CIF]
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The material structure described by CaAgGe crystallizes in the orthorhombic Pnma space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 12-coordinate geometry to three equivalent Ag(2), three equivalent Ag(3), three equivalent Ge(2), and three equivalent Ge(3) atoms. In the second Ca site, Ca(2) is bonded in a 12-coordinate geometry to one Ag(2), two equivalent Ag(3), three equivalent Ag(1), one Ge(3), two equivalent Ge(2), and three equivalent Ge(1) atoms. In the third Ca site, Ca(3) is bonded in a 12-coordinate geometry to one Ag(3), two equivalent Ag(2), three equivalent Ag(1), one Ge(2), two equivalent Ge(3), and three equivalent Ge(1) atoms. There are three inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 10-coordinate geometry to three equivalent Ca(2), three equivalent Ca(3), one Ag(2), and three equivalent Ge(1) atoms. In the second Ag site, Ag(2) is bonded in a 10-coordinate geometry to one Ca(2), two equivalent Ca(3), three equivalent Ca(1), one Ag(1), one Ge(3), and two equivalent Ge(2) atoms. In the third Ag site, Ag(3) is bonded in a 10-coordinate geometry to one Ca(3), two equivalent Ca(2), three equivalent Ca(1), one Ge(2), and three equivalent Ge(3) atoms. There are three inequivalent Ge sites. In the first Ge site, Ge(3) is bonded in a 10-coordinate geometry to one Ca(2), two equivalent Ca(3), three equivalent Ca(1), one Ag(2), and three equivalent Ag(3) atoms. In the second Ge site, Ge(1) is bonded in a 10-coordinate geometry to three equivalent Ca(2), three equivalent Ca(3), three equivalent Ag(1), and one Ge(2) atom. In the third Ge site, Ge(2) is bonded in a 10-coordinate geometry to one Ca(3), two equivalent Ca(2), three equivalent Ca(1), one Ag(3), two equivalent Ag(2), and one Ge(1) atom. is represented by the CIF card [CIF]
data_CaAgGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.562
_cell_length_b   7.850
_cell_length_c   21.569
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   772.459
_cell_formula_units_Z   12
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  0.250  0.219  0.000  1.0
  Ca  Ca1  1  0.250  0.281  0.500  1.0
  Ca  Ca2  1  0.750  0.781  1.000  1.0
  Ca  Ca3  1  0.750  0.719  0.500  1.0
  Ca  Ca4  1  0.250  0.207  0.334  1.0
  Ca  Ca5  1  0.250  0.293  0.834  1.0
  Ca  Ca6  1  0.750  0.793  0.666  1.0
  Ca  Ca7  1  0.750  0.707  0.166  1.0
  Ca  Ca8  1  0.250  0.208  0.667  1.0
  Ca  Ca9  1  0.250  0.292  0.167  1.0
  Ca  Ca10  1  0.750  0.792  0.333  1.0
  Ca  Ca11  1  0.750  0.708  0.833  1.0
  Ag  Ag12  1  0.250  0.912  0.764  1.0
  Ag  Ag13  1  0.250  0.588  0.264  1.0
  Ag  Ag14  1  0.750  0.088  0.236  1.0
  Ag  Ag15  1  0.750  0.412  0.736  1.0
  Ag  Ag16  1  0.250  0.919  0.904  1.0
  Ag  Ag17  1  0.250  0.581  0.404  1.0
  Ag  Ag18  1  0.750  0.081  0.096  1.0
  Ag  Ag19  1  0.750  0.419  0.596  1.0
  Ag  Ag20  1  0.250  0.918  0.564  1.0
  Ag  Ag21  1  0.250  0.582  0.064  1.0
  Ag  Ag22  1  0.750  0.082  0.436  1.0
  Ag  Ag23  1  0.750  0.418  0.936  1.0
  Ge  Ge24  1  0.250  0.583  0.728  1.0
  Ge  Ge25  1  0.250  0.917  0.228  1.0
  Ge  Ge26  1  0.750  0.417  0.272  1.0
  Ge  Ge27  1  0.750  0.083  0.772  1.0
  Ge  Ge28  1  0.250  0.911  0.103  1.0
  Ge  Ge29  1  0.250  0.589  0.603  1.0
  Ge  Ge30  1  0.750  0.089  0.897  1.0
  Ge  Ge31  1  0.750  0.411  0.397  1.0
  Ge  Ge32  1  0.250  0.593  0.927  1.0
  Ge  Ge33  1  0.250  0.907  0.427  1.0
  Ge  Ge34  1  0.750  0.407  0.073  1.0
  Ge  Ge35  1  0.750  0.093  0.573  1.0
[/CIF]
.