data_[La12P4Pb2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  P  2.1900  1.0000  0.5500
  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 [19.3082]
_cell_length_b [4.3778]
_cell_length_c [8.8957]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8585]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6P2PbBr3]
_chemical_formula_sum '[La12 P4 Pb2 Br6]'
_cell_volume [730.0458]
_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  0.0159  0.0000  0.2606  1.0
  La  La1  4  0.1693  0.5000  0.1229  1.0
  La  La2  4  0.1756  0.5000  0.5630  1.0
  P  P3  4  0.1703  0.0000  0.3405  1.0
  Pb  Pb4  2  0.0000  0.5000  0.0000  1.0
  Br  Br5  4  0.1624  0.0000  0.8347  1.0
  Br  Br6  2  0.0000  0.5000  0.5000  1.0
]