data_[Li2Nd2Tm2S6]
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
  Tm  1.2500  1.7500  1.0950
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.0525]
_cell_length_b [3.8488]
_cell_length_c [8.4164]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0529]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiNdTmS3]
_chemical_formula_sum '[Li2 Nd2 Tm2 S6]'
_cell_volume [254.1053]
_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  0.0871  0.2500  0.5847  1.0
  Nd  Nd1  2  0.1900  0.2500  0.2240  1.0
  Tm  Tm2  2  0.3344  0.7500  0.8351  1.0
  S  S3  2  0.1005  0.2500  0.8667  1.0
  S  S4  2  0.2167  0.7500  0.5026  1.0
  S  S5  2  0.4340  0.7500  0.1684  1.0
]