data_[Ba2In4Sn2Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.9977]
_cell_length_b [10.2039]
_cell_length_c [8.2758]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [BaIn2SnBi2]
_chemical_formula_sum '[Ba2 In4 Sn2 Bi4]'
_cell_volume [422.0329]
_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
[
  Ba  Ba0  2  0.0000  0.4135  0.4958  1.0
  In  In1  2  0.0000  0.1663  0.8295  1.0
  In  In2  2  0.5000  0.0757  0.5311  1.0
  Sn  Sn3  2  0.5000  0.3206  0.1830  1.0
  Bi  Bi4  2  0.0000  0.1313  0.2021  1.0
  Bi  Bi5  2  0.5000  0.3645  0.8040  1.0
]