data_[Pm6Pr2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  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 [11.3159]
_cell_length_b [4.0984]
_cell_length_c [11.6201]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2381]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pm3PrS6]
_chemical_formula_sum '[Pm6 Pr2 S12]'
_cell_volume [511.8303]
_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  0.0464  0.2500  0.6906  1
  Pm  Pm1  2  0.1613  0.2500  0.0850  1
  Pm  Pm2  2  0.3186  0.7500  0.4961  1
  Pm  Pm3  2  0.4352  0.2500  0.8311  1
  S  S4  2  0.0829  0.7500  0.9023  1
  S  S5  2  0.1137  0.2500  0.4619  1
  S  S6  2  0.1910  0.7500  0.2487  1
  S  S7  2  0.2576  0.7500  0.7243  1
  S  S8  2  0.3993  0.2500  0.0629  1
  S  S9  2  0.4773  0.2500  0.6109  1
]