data_[Pr6Bi6H4]
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 [18.8405]
_cell_length_b [3.6583]
_cell_length_c [5.9754]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1896]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3Bi3H2]
_chemical_formula_sum '[Pr6 Bi6 H4]'
_cell_volume [405.3511]
_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
[
  Pr  Pr0  4  0.1724  0.5000  0.0892  1
  Pr  Pr1  2  0.0000  0.5000  0.5000  1
  Bi  Bi2  4  0.1590  0.0000  0.5764  1
  Bi  Bi3  2  0.0000  0.0000  0.0000  1
  H  H4  4  0.2386  0.0000  0.1046  1
]