data_[Pr8H4Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9376]
_cell_length_b [10.5375]
_cell_length_c [11.3801]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr2HSe2]
_chemical_formula_sum '[Pr8 H4 Se8]'
_cell_volume [472.1870]
_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  0.0000  0.0382  0.8842  1
  Pr  Pr1  4  0.0000  0.2365  0.1344  1
  H  H2  4  0.0000  0.3601  0.5010  1
  Se  Se3  4  0.0000  0.0544  0.6277  1
  Se  Se4  4  0.0000  0.3209  0.8380  1
]