data_[Ba2Li2Tm2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  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 [8.5004]
_cell_length_b [4.0599]
_cell_length_c [8.8963]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8356]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaLiTmS3]
_chemical_formula_sum '[Ba2 Li2 Tm2 S6]'
_cell_volume [295.3674]
_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
[
  Ba  Ba0  2  0.1980  0.2500  0.2444  1.0
  Li  Li1  2  0.0864  0.2500  0.5923  1.0
  Tm  Tm2  2  0.3285  0.7500  0.8416  1.0
  S  S3  2  0.1202  0.2500  0.8670  1.0
  S  S4  2  0.2075  0.7500  0.5288  1.0
  S  S5  2  0.4536  0.7500  0.1597  1.0
]