data_[La8Pr8S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.0728]
_cell_length_b [3.6091]
_cell_length_c [17.8308]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [La4Pr4S3]
_chemical_formula_sum '[La8 Pr8 S6]'
_cell_volume [648.2208]
_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
[
  La  La0  4  0.2696  0.0000  0.2316  1
  La  La1  2  0.0000  0.0000  0.0957  1
  La  La2  2  0.5000  0.0000  0.0843  1
  Pr  Pr3  4  0.2334  0.0000  0.9510  1
  Pr  Pr4  2  0.0000  0.0000  0.3487  1
  Pr  Pr5  2  0.5000  0.0000  0.3773  1
  S  S6  4  0.2398  0.0000  0.5953  1
  S  S7  2  0.5000  0.0000  0.7333  1
]