data_[Ca8Ag4Bi8]
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 [C2/m]
_cell_length_a [12.1837]
_cell_length_b [4.7379]
_cell_length_c [11.3776]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.9375]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2AgBi2]
_chemical_formula_sum '[Ca8 Ag4 Bi8]'
_cell_volume [600.2807]
_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  4  0.0219  0.5000  0.3475  1.0
  Ca  Ca1  4  0.1684  0.5000  0.1024  1.0
  Ag  Ag2  4  0.1929  0.0000  0.3319  1.0
  Bi  Bi3  4  0.0495  0.0000  0.8827  1.0
  Bi  Bi4  4  0.1598  0.0000  0.5929  1.0
]