data_[La8Pb2Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.8325]
_cell_length_b [4.3198]
_cell_length_c [9.2152]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5069]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La4PbBr5]
_chemical_formula_sum '[La8 Pb2 Br10]'
_cell_volume [737.1091]
_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  0.0035  0.0000  0.2490  1
  La  La1  4  0.1725  0.5000  0.0635  1
  Pb  Pb2  2  0.0000  0.5000  0.0000  1
  Br  Br3  4  0.1627  0.0000  0.8091  1
  Br  Br4  4  0.1682  0.0000  0.3059  1
  Br  Br5  2  0.0000  0.5000  0.5000  1
]