data_[Pr8Bi4H12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Bi  2.0200  1.6000  1.0350
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.6799]
_cell_length_b [4.1348]
_cell_length_c [7.5527]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.6543]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2BiH3]
_chemical_formula_sum '[Pr8 Bi4 H12]'
_cell_volume [445.0274]
_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
[
  Pr  Pr0  4  0.0289  0.5000  0.2700  1.0
  Pr  Pr1  4  0.2003  0.0000  0.6800  1.0
  Bi  Bi2  4  0.1329  0.0000  0.0473  1.0
  H  H3  4  0.0622  0.0000  0.4112  1.0
  H  H4  4  0.0955  0.5000  0.6223  1.0
  H  H5  4  0.1927  0.5000  0.4762  1.0
]