data_[Cu4Pb4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [4.3084]
_cell_length_b [23.6337]
_cell_length_c [6.8042]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [40]
_chemical_formula_structural [CuPbBr3]
_chemical_formula_sum '[Cu4 Pb4 Br12]'
_cell_volume [692.8330]
_cell_formula_units_Z [4]
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
[
  Cu  Cu0  4  0.2500  0.1110  0.6390  1.0
  Pb  Pb1  4  0.2500  0.3363  0.7187  1.0
  Br  Br2  4  0.2500  0.1010  0.9992  1.0
  Br  Br3  4  0.2500  0.2134  0.5074  1.0
  Br  Br4  4  0.2500  0.4270  0.0149  1.0
]