data_[Li2Pr4Nd6S12]
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 [6.9856]
_cell_length_b [12.1697]
_cell_length_c [7.0177]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4823]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiPr2(NdS2)3]
_chemical_formula_sum '[Li2 Pr4 Nd6 S12]'
_cell_volume [562.4396]
_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  0.3336  0.0000  1.0
  Nd  Nd2  4  0.0000  0.1668  0.5000  1.0
  Nd  Nd3  2  0.0000  0.5000  0.5000  1.0
  S  S4  8  0.2431  0.1615  0.2466  1.0
  S  S5  4  0.2389  0.0000  0.7560  1.0
]