data_[La12Sb4Te2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.1627]
_cell_length_b [4.3714]
_cell_length_c [8.8106]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8291]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Sb2TeS3]
_chemical_formula_sum '[La12 Sb4 Te2 S6]'
_cell_volume [716.6437]
_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
[
  La  La0  4  0.0059  0.0000  0.7294  1
  La  La1  4  0.1617  0.5000  0.5962  1
  La  La2  4  0.1740  0.5000  0.0713  1
  Sb  Sb3  4  0.1656  0.0000  0.3315  1
  Te  Te4  2  0.0000  0.5000  0.0000  1
  S  S5  4  0.1665  0.0000  0.8343  1
  S  S6  2  0.0000  0.5000  0.5000  1
]