data_[La12Bi6As4Se2]
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
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.7507]
_cell_length_b [4.5249]
_cell_length_c [9.1015]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5755]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Bi3As2Se]
_chemical_formula_sum '[La12 Bi6 As4 Se2]'
_cell_volume [790.6819]
_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  0.0054  0.0000  0.2452  1.0
  La  La1  4  0.1650  0.5000  0.0969  1.0
  La  La2  4  0.1714  0.5000  0.5722  1.0
  Bi  Bi3  4  0.1651  0.0000  0.8338  1.0
  Bi  Bi4  2  0.0000  0.5000  0.5000  1.0
  As  As5  4  0.1662  0.0000  0.3321  1.0
  Se  Se6  2  0.0000  0.5000  0.0000  1.0
]