data_[Li2Tm2Pu2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tm  1.2500  1.7500  1.0950
  Pu  1.2800  1.7500  0.9675
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.9947]
_cell_length_b [3.8347]
_cell_length_c [8.3590]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7969]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiTmPuS3]
_chemical_formula_sum '[Li2 Tm2 Pu2 S6]'
_cell_volume [249.8962]
_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  0.7500  0.5806  1
  Tm  Tm1  2  0.3354  0.2500  0.8322  1
  Pu  Pu2  2  0.1776  0.7500  0.2169  1
  S  S3  2  0.1030  0.7500  0.8643  1
  S  S4  2  0.2196  0.2500  0.4989  1
  S  S5  2  0.4271  0.2500  0.1662  1
]