data_[Pr8H4Br8]
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 [C2/m]
_cell_length_a [21.0844]
_cell_length_b [4.0505]
_cell_length_c [7.0591]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.7337]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2HBr2]
_chemical_formula_sum '[Pr8 H4 Br8]'
_cell_volume [599.8570]
_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  0.1801  0.5000  0.3974  1.0
  Pr  Pr1  4  0.1802  0.0000  0.8936  1.0
  H  H2  4  0.2081  0.0000  0.5694  1.0
  Br  Br3  4  0.0871  0.5000  0.6986  1.0
  Br  Br4  4  0.0896  0.0000  0.2003  1.0
]