data_[K3Gd1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Gd  1.2000  1.8000  1.0750
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5178]
_cell_length_b [6.5795]
_cell_length_c [6.6255]
_cell_angle_alpha [60.3423]
_cell_angle_beta [60.5344]
_cell_angle_gamma [60.4238]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K3GdF6]
_chemical_formula_sum '[K3 Gd1 F6]'
_cell_volume [202.8776]
_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  2  0.2877  0.2202  0.2327  1.0
  K  K1  1  0.5000  0.5000  0.5000  1.0
  Gd  Gd2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.1928  0.8753  0.6731  1.0
  F  F4  2  0.2507  0.6542  0.1949  1.0
  F  F5  2  0.2817  0.1805  0.8556  1.0
]