data_[La12Bi6Sb4Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Bi  2.0200  1.6000  1.0350
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.1009]
_cell_length_b [4.6251]
_cell_length_c [9.2624]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2672]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Bi3Sb2Se]
_chemical_formula_sum '[La12 Bi6 Sb4 Se2]'
_cell_volume [838.1198]
_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  0.0002  0.0000  0.2430  1.0
  La  La1  4  0.1631  0.5000  0.0846  1.0
  La  La2  4  0.1679  0.5000  0.5804  1.0
  Bi  Bi3  4  0.1673  0.0000  0.8346  1.0
  Bi  Bi4  2  0.0000  0.5000  0.5000  1.0
  Sb  Sb5  4  0.1652  0.0000  0.3309  1.0
  Se  Se6  2  0.0000  0.5000  0.0000  1.0
]