data_[La12Sn2Sb4Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sn  1.9600  1.4500  0.8300
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.1061]
_cell_length_b [4.6297]
_cell_length_c [9.2288]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1475]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6SnSb2Te3]
_chemical_formula_sum '[La12 Sn2 Sb4 Te6]'
_cell_volume [836.5459]
_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  0.0015  0.0000  0.2435  1.0
  La  La1  4  0.1639  0.5000  0.0867  1.0
  La  La2  4  0.1683  0.5000  0.5788  1.0
  Sn  Sn3  2  0.0000  0.5000  0.0000  1.0
  Sb  Sb4  4  0.1671  0.0000  0.3341  1.0
  Te  Te5  4  0.1673  0.0000  0.8329  1.0
  Te  Te6  2  0.0000  0.5000  0.5000  1.0
]