data_[La12Bi2Te4Se6]
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
  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 [19.5790]
_cell_length_b [4.4483]
_cell_length_c [8.9760]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9312]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6BiTe2Se3]
_chemical_formula_sum '[La12 Bi2 Te4 Se6]'
_cell_volume [758.7506]
_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  0.0052  0.0000  0.7373  1.0
  La  La1  4  0.1604  0.5000  0.5973  1.0
  La  La2  4  0.1722  0.5000  0.0670  1.0
  Bi  Bi3  2  0.0000  0.5000  0.0000  1.0
  Te  Te4  4  0.1675  0.0000  0.3337  1.0
  Se  Se5  4  0.1663  0.0000  0.8315  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]