data_[Ga2Pb2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0659]
_cell_length_b [7.6758]
_cell_length_c [7.9046]
_cell_angle_alpha [85.5604]
_cell_angle_beta [87.0296]
_cell_angle_gamma [75.8181]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [GaPbSe3]
_chemical_formula_sum '[Ga2 Pb2 Se6]'
_cell_volume [296.9339]
_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
[
  Ga  Ga0  2  0.4415  0.6813  0.8641  1.0
  Pb  Pb1  2  0.3936  0.2871  0.6428  1.0
  Se  Se2  2  0.1743  0.7013  0.6160  1.0
  Se  Se3  2  0.2220  0.6153  0.1393  1.0
  Se  Se4  2  0.3431  0.0684  0.1124  1.0
]