data_[Ca4Sn8Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.8857]
_cell_length_b [26.5910]
_cell_length_c [4.6224]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ca(SnBi)2]
_chemical_formula_sum '[Ca4 Sn8 Bi8]'
_cell_volume [600.5216]
_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  0.0000  0.3463  0.2500  1.0
  Sn  Sn1  4  0.0000  0.0499  0.7500  1.0
  Sn  Sn2  4  0.0000  0.4556  0.7500  1.0
  Bi  Bi3  4  0.0000  0.1348  0.2500  1.0
  Bi  Bi4  4  0.0000  0.2496  0.7500  1.0
]