data_[La6As2Pb2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  As  2.1800  1.1500  0.6600
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.7014]
_cell_length_b [4.4285]
_cell_length_c [11.7528]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1309]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La3AsPbBr]
_chemical_formula_sum '[La6 As2 Pb2 Br2]'
_cell_volume [391.8846]
_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  0.0466  0.7500  0.1452  1.0
  La  La1  2  0.2774  0.7500  0.4955  1.0
  La  La2  2  0.4571  0.2500  0.8467  1.0
  As  As3  2  0.2336  0.7500  0.9379  1.0
  Pb  Pb4  2  0.3477  0.2500  0.3054  1.0
  Br  Br5  2  0.1261  0.2500  0.6348  1.0
]