data_[La2Bi2Br2]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.5464]
_cell_length_b [6.3695]
_cell_length_c [8.2918]
_cell_angle_alpha [111.8155]
_cell_angle_beta [90.4664]
_cell_angle_gamma [110.1009]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LaBiBr]
_chemical_formula_sum '[La2 Bi2 Br2]'
_cell_volume [206.7849]
_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  2  0.1735  0.3505  0.7055  1
  Bi  Bi1  2  0.4725  0.9007  0.6402  1
  Br  Br2  2  0.1674  0.3246  0.0780  1
]