data_[Pr2S10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.2119]
_cell_length_b [11.0224]
_cell_length_c [7.4666]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0650]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrS5]
_chemical_formula_sum '[Pr2 S10]'
_cell_volume [336.2479]
_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  0.2715  0.7500  0.6925  1.0
  S  S1  4  0.1374  0.1548  0.0879  1.0
  S  S2  4  0.3743  0.5654  0.4078  1.0
  S  S3  2  0.3946  0.2500  0.6053  1.0
]