data_[Li2Nd2Sm2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.2581]
_cell_length_b [3.9022]
_cell_length_c [8.4984]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7764]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiNdSmS3]
_chemical_formula_sum '[Li2 Nd2 Sm2 S6]'
_cell_volume [268.0920]
_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  0.0862  0.2500  0.5840  1.0
  Nd  Nd1  2  0.1818  0.2500  0.2189  1.0
  Sm  Sm2  2  0.3393  0.7500  0.8302  1.0
  S  S3  2  0.0963  0.2500  0.8662  1.0
  S  S4  2  0.2072  0.7500  0.4936  1.0
  S  S5  2  0.4208  0.7500  0.1715  1.0
]