data_[La6Si2I2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Si  1.9000  1.1000  0.5400
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.4785]
_cell_length_b [4.3248]
_cell_length_c [10.5275]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.5825]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La3SiIBr]
_chemical_formula_sum '[La6 Si2 I2 Br2]'
_cell_volume [431.3849]
_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  0.1589  0.7500  0.8678  1
  La  La1  2  0.3538  0.2500  0.5852  1
  La  La2  2  0.4092  0.2500  0.1459  1
  Si  Si3  2  0.3702  0.2500  0.8615  1
  I  I4  2  0.1267  0.7500  0.1804  1
  Br  Br5  2  0.1307  0.7500  0.5793  1
]