data_[Pr8Se2Cl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3265]
_cell_length_b [4.0474]
_cell_length_c [8.4742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5637]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr4SeCl5]
_chemical_formula_sum '[Pr8 Se2 Cl10]'
_cell_volume [605.5150]
_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  0.0019  0.0000  0.7659  1
  Pr  Pr1  4  0.1580  0.5000  0.0872  1
  Se  Se2  2  0.0000  0.5000  0.0000  1
  Cl  Cl3  4  0.1624  0.0000  0.3347  1
  Cl  Cl4  4  0.1733  0.0000  0.8396  1
  Cl  Cl5  2  0.0000  0.5000  0.5000  1
]