data_[Cu1Ag2Pb1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ag  1.9300  1.6000  1.0867
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.9400]
_cell_length_b [7.2062]
_cell_length_c [7.4540]
_cell_angle_alpha [63.6742]
_cell_angle_beta [89.7513]
_cell_angle_gamma [66.6478]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CuAg2PbBr6]
_chemical_formula_sum '[Cu1 Ag2 Pb1 Br6]'
_cell_volume [300.0214]
_cell_formula_units_Z [1]
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  1  0.6258  0.7016  0.9998  1.0
  Ag  Ag1  1  0.5046  0.0346  0.4462  1.0
  Ag  Ag2  1  0.9569  0.0666  0.9574  1.0
  Pb  Pb3  1  0.1905  0.6277  0.5385  1.0
  Br  Br4  1  0.1180  0.1091  0.2644  1.0
  Br  Br5  1  0.2760  0.1118  0.7542  1.0
  Br  Br6  1  0.4534  0.4957  0.2584  1.0
  Br  Br7  1  0.5984  0.5099  0.7941  1.0
  Br  Br8  1  0.7546  0.8186  0.2347  1.0
  Br  Br9  1  0.8602  0.8475  0.7674  1.0
]