data_[Ca8Sn4Bi4]
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 [P2_1/c]
_cell_length_a [7.4514]
_cell_length_b [6.5897]
_cell_length_c [12.3616]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.0529]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca2SnBi]
_chemical_formula_sum '[Ca8 Sn4 Bi4]'
_cell_volume [514.4608]
_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  0.0544  0.6954  0.3962  1.0
  Ca  Ca1  4  0.4683  0.6249  0.8450  1.0
  Sn  Sn2  4  0.4380  0.1342  0.8900  1.0
  Bi  Bi3  4  0.0559  0.1955  0.3910  1.0
]