data_[Li4Tm4Cd4S12]
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
  Cd  1.6900  1.5500  1.0900
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.3175]
_cell_length_b [3.9126]
_cell_length_c [11.4016]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LiTmCdS3]
_chemical_formula_sum '[Li4 Tm4 Cd4 S12]'
_cell_volume [549.4767]
_cell_formula_units_Z [4]
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  4  0.2334  0.7500  0.4602  1
  Tm  Tm1  4  0.0044  0.2500  0.3526  1
  Cd  Cd2  4  0.0312  0.7500  0.0966  1
  S  S3  4  0.1090  0.7500  0.8825  1
  S  S4  4  0.1215  0.2500  0.5524  1
  S  S5  4  0.1365  0.7500  0.2774  1
]