data_[Ca8Bi4Sb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Bi  2.0200  1.6000  1.0350
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5750]
_cell_length_b [4.7968]
_cell_length_c [8.9131]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.2347]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca4Bi2Sb]
_chemical_formula_sum '[Ca8 Bi4 Sb2]'
_cell_volume [473.6685]
_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  4  0.0864  0.0000  0.3858  1.0
  Ca  Ca1  4  0.1765  0.5000  0.0742  1.0
  Bi  Bi2  4  0.1534  0.5000  0.6741  1.0
  Sb  Sb3  2  0.0000  0.0000  0.0000  1.0
]