data_[Cu2Ge2Pb2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
  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 [8.4553]
_cell_length_b [3.9795]
_cell_length_c [8.8568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6557]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CuGePbSe3]
_chemical_formula_sum '[Cu2 Ge2 Pb2 Se6]'
_cell_volume [288.3133]
_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  0.0778  0.2500  0.5647  1.0
  Ge  Ge1  2  0.3414  0.7500  0.8574  1.0
  Pb  Pb2  2  0.1792  0.2500  0.2179  1.0
  Se  Se3  2  0.1124  0.2500  0.8607  1.0
  Se  Se4  2  0.2302  0.7500  0.5286  1.0
  Se  Se5  2  0.4448  0.7500  0.1669  1.0
]