data_[Ba16Sn4Bi4H4]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.5976]
_cell_length_b [19.2450]
_cell_length_c [7.5715]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ba4SnBiH]
_chemical_formula_sum '[Ba16 Sn4 Bi4 H4]'
_cell_volume [1107.0700]
_cell_formula_units_Z [4]
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  8  0.2500  0.2500  0.0000  1.0
  Ba  Ba1  4  0.0000  0.0735  0.7500  1.0
  Ba  Ba2  4  0.0000  0.4365  0.7500  1.0
  Sn  Sn3  4  0.0000  0.3792  0.2500  1.0
  Bi  Bi4  4  0.0000  0.1155  0.2500  1.0
  H  H5  4  0.0000  0.2258  0.7500  1.0
]