data_[Li2Tm12As4S6]
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
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.4124]
_cell_length_b [3.9402]
_cell_length_c [7.9870]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1480]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiTm6As2S3]
_chemical_formula_sum '[Li2 Tm12 As4 S6]'
_cell_volume [526.3524]
_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  0.0000  0.5000  0.0000  1
  Tm  Tm1  4  0.0065  0.0000  0.7332  1
  Tm  Tm2  4  0.1687  0.5000  0.5791  1
  Tm  Tm3  4  0.1718  0.5000  0.0767  1
  As  As4  4  0.1612  0.0000  0.3225  1
  S  S5  4  0.1700  0.0000  0.8286  1
  S  S6  2  0.0000  0.5000  0.5000  1
]