data_[Ba4Sn8Bi10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2258]
_cell_length_b [7.3227]
_cell_length_c [10.2130]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.7728]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Sn4Bi5]
_chemical_formula_sum '[Ba4 Sn8 Bi10]'
_cell_volume [792.2990]
_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  4  0.2367  0.0000  0.2285  1.0
  Sn  Sn1  4  0.2111  0.5000  0.3830  1.0
  Sn  Sn2  4  0.2150  0.5000  0.0966  1.0
  Bi  Bi3  8  0.0310  0.2355  0.8028  1.0
  Bi  Bi4  2  0.0000  0.0000  0.5000  1.0
]