data_[Ga4Pb4Se10]
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 [C2/m]
_cell_length_a [15.6742]
_cell_length_b [4.1222]
_cell_length_c [10.2038]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.4892]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ga2Pb2Se5]
_chemical_formula_sum '[Ga4 Pb4 Se10]'
_cell_volume [573.8738]
_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  4  0.2147  0.0000  0.5979  1
  Pb  Pb1  4  0.0904  0.5000  0.9037  1
  Se  Se2  4  0.1363  0.5000  0.4323  1
  Se  Se3  4  0.2139  0.0000  0.8259  1
  Se  Se4  2  0.0000  0.0000  0.0000  1
]