data_[La12Sb6Te4Se2]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.8758]
_cell_length_b [4.5726]
_cell_length_c [9.1126]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0088]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Sb3Te2Se]
_chemical_formula_sum '[La12 Sb6 Te4 Se2]'
_cell_volume [806.9290]
_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  0.0027  0.0000  0.7581  1
  La  La1  4  0.1626  0.5000  0.0767  1
  La  La2  4  0.1647  0.5000  0.5881  1
  Sb  Sb3  4  0.1690  0.0000  0.8351  1
  Sb  Sb4  2  0.0000  0.5000  0.5000  1
  Te  Te5  4  0.1659  0.0000  0.3332  1
  Se  Se6  2  0.0000  0.5000  0.0000  1
]