data_[K6Mg2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mg  1.3100  1.5000  0.8600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.2452]
_cell_length_b [6.4617]
_cell_length_c [10.7987]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1064]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K3MgF6]
_chemical_formula_sum '[K6 Mg2 F12]'
_cell_volume [356.5063]
_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
[
  K  K0  4  0.2658  0.5519  0.2516  1.0
  K  K1  2  0.5000  0.0000  0.5000  1.0
  Mg  Mg2  2  0.0000  0.0000  0.0000  1.0
  F  F3  4  0.1149  0.5435  0.7138  1.0
  F  F4  4  0.2246  0.2426  0.5603  1.0
  F  F5  4  0.3061  0.6730  0.5446  1.0
]