data_[La6Pr4Nd2S12]
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
  Nd  1.1400  1.8500  1.2765
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1448]
_cell_length_b [12.3943]
_cell_length_c [7.1316]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5867]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3Pr2NdS6]
_chemical_formula_sum '[La6 Pr4 Nd2 S12]'
_cell_volume [594.9933]
_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  0.0000  0.1673  0.5000  1
  La  La1  2  0.0000  0.5000  0.5000  1
  Pr  Pr2  4  0.0000  0.3334  0.0000  1
  Nd  Nd3  2  0.0000  0.0000  0.0000  1
  S  S4  8  0.2480  0.1658  0.2469  1
  S  S5  4  0.2490  0.0000  0.7523  1
]