data_[Li2Ga2Pb4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [C2]
_cell_length_a [8.6518]
_cell_length_b [9.1860]
_cell_length_c [6.9005]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.9392]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [LiGa(PbSe2)2]
_chemical_formula_sum '[Li2 Ga2 Pb4 Se8]'
_cell_volume [432.5179]
_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
[
  Li  Li0  2  0.0000  0.7180  0.5000  1.0
  Ga  Ga1  2  0.0000  0.4933  0.0000  1.0
  Pb  Pb2  2  0.0000  0.1811  0.5000  1.0
  Pb  Pb3  2  0.0000  0.9325  0.0000  1.0
  Se  Se4  4  0.2072  0.6455  0.9539  1.0
  Se  Se5  4  0.2263  0.3853  0.4226  1.0
]