data_[Ge1Pb1Cl1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2071]
_cell_length_b [5.6679]
_cell_length_c [5.7468]
_cell_angle_alpha [105.5811]
_cell_angle_beta [98.0873]
_cell_angle_gamma [99.6815]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [GePbClF6]
_chemical_formula_sum '[Ge1 Pb1 Cl1 F6]'
_cell_volume [157.9300]
_cell_formula_units_Z [1]
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
[
  Ge  Ge0  1  0.5021  0.6714  0.3281  1
  Pb  Pb1  1  0.4956  0.2744  0.7244  1
  Cl  Cl2  1  0.9847  0.0740  0.9171  1
  F  F3  1  0.2736  0.8216  0.4997  1
  F  F4  1  0.3085  0.6315  0.0267  1
  F  F5  1  0.3116  0.3622  0.3350  1
  F  F6  1  0.6899  0.9859  0.3728  1
  F  F7  1  0.7017  0.6652  0.6283  1
  F  F8  1  0.7323  0.5139  0.1681  1
]