data_[Pr12Rh2Se6S4]
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 [18.5060]
_cell_length_b [4.1469]
_cell_length_c [8.5192]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8450]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6RhSe3S2]
_chemical_formula_sum '[Pr12 Rh2 Se6 S4]'
_cell_volume [634.7806]
_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  0.0028  0.0000  0.2351  1
  Pr  Pr1  4  0.1642  0.5000  0.0918  1
  Pr  Pr2  4  0.1698  0.5000  0.5728  1
  Rh  Rh3  2  0.0000  0.5000  0.0000  1
  Se  Se4  4  0.1678  0.0000  0.8310  1
  Se  Se5  2  0.0000  0.5000  0.5000  1
  S  S6  4  0.1675  0.0000  0.3334  1
]