data_[La2Pr6Y4S12]
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
  Y  1.2200  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0402]
_cell_length_b [12.1495]
_cell_length_c [7.0113]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6127]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaPr3(YS3)2]
_chemical_formula_sum '[La2 Pr6 Y4 S12]'
_cell_volume [564.9239]
_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  2  0.0000  0.0000  0.0000  1.0
  Pr  Pr1  4  0.0000  0.1629  0.5000  1.0
  Pr  Pr2  2  0.0000  0.5000  0.5000  1.0
  Y  Y3  4  0.0000  0.3330  0.0000  1.0
  S  S4  8  0.2484  0.3280  0.7599  1.0
  S  S5  4  0.2345  0.5000  0.2357  1.0
]