data_[Pr12Mo4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mo  2.1600  1.4500  0.7750
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.0497]
_cell_length_b [13.6789]
_cell_length_c [6.8076]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr3MoS6]
_chemical_formula_sum '[Pr12 Mo4 S24]'
_cell_volume [1028.9575]
_cell_formula_units_Z [4]
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  0.1827  0.0988  0.5224  1
  Pr  Pr1  4  0.0000  0.3998  0.6022  1
  Mo  Mo2  4  0.0000  0.1924  0.9798  1
  S  S3  8  0.1615  0.4746  0.3118  1
  S  S4  8  0.1623  0.2613  0.8062  1
  S  S5  4  0.0000  0.0345  0.8304  1
  S  S6  4  0.0000  0.2198  0.3216  1
]