data_[Pr2H2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  H  2.2000  0.2500  0.0000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.8260]
_cell_length_b [9.1054]
_cell_length_c [8.4825]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7266]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrHBr4]
_chemical_formula_sum '[Pr2 H2 Br8]'
_cell_volume [435.1963]
_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  2  0.0375  0.7500  0.5813  1.0
  H  H1  2  0.1163  0.7500  0.0677  1.0
  Br  Br2  4  0.0576  0.0572  0.7094  1.0
  Br  Br3  2  0.3051  0.7500  0.9856  1.0
  Br  Br4  2  0.4447  0.2500  0.3681  1.0
]