data_[Pr8H2Br10]
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 [18.0930]
_cell_length_b [3.9194]
_cell_length_c [8.6964]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7428]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr4HBr5]
_chemical_formula_sum '[Pr8 H2 Br10]'
_cell_volume [599.0410]
_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  0.0015  0.0000  0.7857  1.0
  Pr  Pr1  4  0.1421  0.5000  0.0758  1.0
  H  H2  2  0.0000  0.5000  0.0000  1.0
  Br  Br3  4  0.1663  0.0000  0.3463  1.0
  Br  Br4  4  0.1757  0.0000  0.8294  1.0
  Br  Br5  2  0.0000  0.5000  0.5000  1.0
]