data_[Ca2Ag2Bi2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ag  1.9300  1.6000  1.0867
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.6959]
_cell_length_b [4.6959]
_cell_length_c [7.6239]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [CaAgBi]
_chemical_formula_sum '[Ca2 Ag2 Bi2]'
_cell_volume [168.1173]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.5000  1
  Ag  Ag1  2  0.0000  0.5000  0.8002  1
  Bi  Bi2  2  0.0000  0.5000  0.1922  1
]