data_[Ca4In2Bi2Sb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  In  1.7800  1.5500  0.9400
  Bi  2.0200  1.6000  1.0350
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6449]
_cell_length_b [4.6392]
_cell_length_c [8.8305]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.2204]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ca2InBiSb]
_chemical_formula_sum '[Ca4 In2 Bi2 Sb2]'
_cell_volume [317.7086]
_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  0.0709  0.7500  0.2085  1.0
  Ca  Ca1  2  0.4612  0.2500  0.1761  1.0
  In  In2  2  0.1135  0.7500  0.5849  1.0
  Bi  Bi3  2  0.3547  0.2500  0.5065  1.0
  Sb  Sb4  2  0.2249  0.7500  0.9438  1.0
]