data_[Pr12Rh4Se6S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Rh  2.2800  1.3500  0.7450
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7182]
_cell_length_b [4.1476]
_cell_length_c [8.6757]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7800]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6Rh2Se3S]
_chemical_formula_sum '[Pr12 Rh4 Se6 S2]'
_cell_volume [648.1548]
_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  0.0074  0.0000  0.2475  1
  Pr  Pr1  4  0.1674  0.5000  0.1063  1
  Pr  Pr2  4  0.1714  0.5000  0.5749  1
  Rh  Rh3  4  0.1675  0.0000  0.3364  1
  Se  Se4  4  0.1614  0.0000  0.8403  1
  Se  Se5  2  0.0000  0.5000  0.5000  1
  S  S6  2  0.0000  0.5000  0.0000  1
]