data_[Pm6Pr4S16]
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 [C2/m]
_cell_length_a [14.1102]
_cell_length_b [8.2578]
_cell_length_c [6.9154]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5134]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm3(PrS4)2]
_chemical_formula_sum '[Pm6 Pr4 S16]'
_cell_volume [754.6803]
_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
[
  Pm  Pm0  4  0.0000  0.2634  0.0000  1
  Pr  Pr1  4  0.2337  0.5000  0.6538  1
  Pm  Pm2  2  0.0000  0.0000  0.5000  1
  S  S3  8  0.1239  0.2298  0.4139  1
  S  S4  4  0.1153  0.0000  0.9310  1
  S  S5  4  0.1210  0.5000  0.9213  1
]