data_KAuF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   98.67
_cell_angle_beta   98.67
_cell_angle_gamma   98.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAuF6
_chemical_formula_sum   'K1 Au1 F6'
_cell_volume   132.89
_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
  K  K6  1  0.0  0.0  0.0  1.0
  Au  Au7  1  0.0  0.0  0.74  1.0
  F  F0  1  0.65  0.78  0.56  1.0
  F  F1  1  0.35  0.78  0.56  1.0
  F  F2  1  0.0  0.55  0.92  1.0
  F  F3  1  0.65  0.22  0.92  1.0
  F  F4  1  0.35  0.22  0.92  1.0
  F  F5  1  0.0  0.45  0.56  1.0

data_KAuF6
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   98.67
_cell_angle_beta   98.67
_cell_angle_gamma   98.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAuF6
_chemical_formula_sum   'K1 Au1 F6'
_cell_volume   132.89
_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
  K  K0  1  0.0  0.0  0.0  1.0
  Au  Au1  1  0.0  0.0  0.74  1.0
  F  F2  1  0.0  0.55  0.92  1.0
  F  F3  1  0.0  0.45  0.56  1.0
  F  F4  1  0.35  0.22  0.92  1.0
  F  F5  1  0.35  0.78  0.56  1.0
  F  F6  1  0.65  0.22  0.92  1.0
  F  F7  1  0.65  0.78  0.56  1.0

K Au F F F F F F