data_[Ga2Pb6Se4F12]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0895]
_cell_length_b [7.0305]
_cell_length_c [4.8971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.5204]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [GaPb3(SeF3)2]
_chemical_formula_sum '[Ga2 Pb6 Se4 F12]'
_cell_volume [483.5751]
_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  0.0000  0.0000  0.5000  1
  Pb  Pb1  4  0.2500  0.2500  0.5000  1
  Pb  Pb2  2  0.0000  0.5000  0.0000  1
  Se  Se3  4  0.1949  0.5000  0.9653  1
  F  F4  8  0.0488  0.2070  0.2830  1
  F  F5  4  0.1278  0.0000  0.6737  1
]