data_[Ba1Cd1Bi1H1]
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
  Bi  2.0200  1.6000  1.0350
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.8928]
_cell_length_b [4.8928]
_cell_length_c [5.3685]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [BaCdBiH]
_chemical_formula_sum '[Ba1 Cd1 Bi1 H1]'
_cell_volume [111.2988]
_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  1  0.6667  0.3333  0.2017  1.0
  Cd  Cd1  1  0.0000  0.0000  0.7835  1.0
  Bi  Bi2  1  0.3333  0.6667  0.6341  1.0
  H  H3  1  0.0000  0.0000  0.1416  1.0
]