data_[La12Sn4Bi2Se6]
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
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.5567]
_cell_length_b [4.5315]
_cell_length_c [8.9973]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3783]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Sn2BiSe3]
_chemical_formula_sum '[La12 Sn4 Bi2 Se6]'
_cell_volume [778.8128]
_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  0.0006  0.0000  0.7404  1.0
  La  La1  4  0.1655  0.5000  0.5872  1.0
  La  La2  4  0.1703  0.5000  0.0817  1.0
  Sn  Sn3  4  0.1663  0.0000  0.3326  1.0
  Bi  Bi4  2  0.0000  0.5000  0.0000  1.0
  Se  Se5  4  0.1656  0.0000  0.8334  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]