data_[Pr12As2S10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1643]
_cell_length_b [12.4243]
_cell_length_c [7.1836]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3536]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6AsS5]
_chemical_formula_sum '[Pr12 As2 S10]'
_cell_volume [603.2882]
_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  8  0.2477  0.3327  0.7474  1
  Pr  Pr1  4  0.2475  0.5000  0.2511  1
  As  As2  2  0.0000  0.0000  0.0000  1
  S  S3  4  0.0000  0.1648  0.5000  1
  S  S4  4  0.0000  0.3326  0.0000  1
  S  S5  2  0.0000  0.5000  0.5000  1
]