data_[Ba2Cd4Sn1Bi3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cd  1.6900  1.5500  1.0900
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [5.3964]
_cell_length_b [5.3964]
_cell_length_c [11.4573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ba2Cd4SnBi3]
_chemical_formula_sum '[Ba2 Cd4 Sn1 Bi3]'
_cell_volume [333.6532]
_cell_formula_units_Z [1]
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  0.5000  0.7450  1
  Cd  Cd1  2  0.0000  0.5000  0.3818  1
  Cd  Cd2  1  0.0000  0.0000  0.0000  1
  Cd  Cd3  1  0.5000  0.5000  0.0000  1
  Sn  Sn4  1  0.5000  0.5000  0.5000  1
  Bi  Bi5  2  0.0000  0.5000  0.1267  1
  Bi  Bi6  1  0.0000  0.0000  0.5000  1
]