data_[K4Na2Mo2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Na  0.9300  1.8000  1.1600
  Mo  2.1600  1.4500  0.7750
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.1103]
_cell_length_b [6.1610]
_cell_length_c [10.5940]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1040]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2NaMoF6]
_chemical_formula_sum '[K4 Na2 Mo2 F12]'
_cell_volume [326.2802]
_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  0.2563  0.5329  0.7504  1.0
  Na  Na1  2  0.5000  0.0000  0.0000  1.0
  Mo  Mo2  2  0.0000  0.0000  0.5000  1.0
  F  F3  4  0.1724  0.5180  0.2379  1.0
  F  F4  4  0.2341  0.2256  0.0355  1.0
  F  F5  4  0.3074  0.7009  0.0330  1.0
]