data_[La6Bi2Te4]
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
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.6266]
_cell_length_b [6.5532]
_cell_length_c [13.8624]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [La3BiTe2]
_chemical_formula_sum '[La6 Bi2 Te4]'
_cell_volume [420.2988]
_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  0.0000  0.5000  0.3326  1.0
  La  La1  2  0.0000  0.5000  0.0000  1.0
  Bi  Bi2  2  0.0000  0.0000  0.0000  1.0
  Te  Te3  4  0.0000  0.0000  0.3338  1.0
]