data_[Li2Pr6Nd4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [6.9932]
_cell_length_b [12.1837]
_cell_length_c [7.0387]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4792]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiPr3(NdS3)2]
_chemical_formula_sum '[Li2 Pr6 Nd4 S12]'
_cell_volume [565.3892]
_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
[
  Li  Li0  2  0.0000  0.0000  0.0000  1.0
  Pr  Pr1  4  0.0000  0.1666  0.5000  1.0
  Pr  Pr2  2  0.0000  0.5000  0.5000  1.0
  Nd  Nd3  4  0.0000  0.3336  0.0000  1.0
  S  S4  8  0.2420  0.8379  0.2416  1.0
  S  S5  4  0.2419  0.0000  0.7611  1.0
]