data_[K6La2Tm4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  La  1.1000  1.9500  1.1720
  Tm  1.2500  1.7500  1.0950
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0950]
_cell_length_b [12.2904]
_cell_length_c [7.7420]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8350]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3La(TmS3)2]
_chemical_formula_sum '[K6 La2 Tm4 S12]'
_cell_volume [642.6607]
_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
[
  K  K0  4  0.0000  0.1651  0.5000  1
  K  K1  2  0.0000  0.5000  0.5000  1
  La  La2  2  0.0000  0.0000  0.0000  1
  Tm  Tm3  4  0.0000  0.3331  0.0000  1
  S  S4  8  0.2417  0.1742  0.2018  1
  S  S5  4  0.2189  0.5000  0.2019  1
]