data_[Cu2Sn2Pb2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.7500]
_cell_length_b [4.0748]
_cell_length_c [8.9461]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1385]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CuSnPbSe3]
_chemical_formula_sum '[Cu2 Sn2 Pb2 Se6]'
_cell_volume [310.6206]
_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
[
  Cu  Cu0  2  0.0759  0.7500  0.5563  1
  Sn  Sn1  2  0.3390  0.2500  0.8466  1
  Pb  Pb2  2  0.1747  0.7500  0.2112  1
  Se  Se3  2  0.1055  0.7500  0.8578  1
  Se  Se4  2  0.2179  0.2500  0.5160  1
  Se  Se5  2  0.4328  0.2500  0.1778  1
]