data_[Cu1Ag2Pb1I6]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [7.7349]
_cell_length_b [7.7349]
_cell_length_c [18.5041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [149]
_chemical_formula_structural [CuAg2PbI6]
_chemical_formula_sum '[Cu1 Ag2 Pb1 I6]'
_cell_volume [958.7543]
_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  0.3333  0.6667  0.5000  1
  Ag  Ag1  2  0.6667  0.3333  0.5819  1
  Pb  Pb2  1  0.0000  0.0000  0.5000  1
  I  I3  6  0.0424  0.3740  0.5947  1
]