data_[Li6Tm4Bi2S12]
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
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7694]
_cell_length_b [11.7285]
_cell_length_c [6.6047]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0450]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Tm2BiS6]
_chemical_formula_sum '[Li6 Tm4 Bi2 S12]'
_cell_volume [492.6158]
_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  4  0.0000  0.1628  0.5000  1.0
  Li  Li1  2  0.0000  0.5000  0.5000  1.0
  Tm  Tm2  4  0.0000  0.3329  0.0000  1.0
  Bi  Bi3  2  0.0000  0.0000  0.0000  1.0
  S  S4  8  0.2438  0.3278  0.7488  1.0
  S  S5  4  0.2399  0.5000  0.2529  1.0
]