data_[Cs2Cu2Pb2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cu  1.9000  1.3500  0.8200
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [8.5495]
_cell_length_b [5.3404]
_cell_length_c [8.4586]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1612]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [CsCuPbSe2]
_chemical_formula_sum '[Cs2 Cu2 Pb2 Se4]'
_cell_volume [364.8006]
_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
[
  Cs  Cs0  2  0.5000  0.2346  0.7500  1.0
  Cu  Cu1  2  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  2  0.0000  0.4063  0.2500  1.0
  Se  Se3  4  0.2166  0.2589  0.0039  1.0
]