data_[K2Li4Mo2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  Mo  2.1600  1.4500  0.7750
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.9466]
_cell_length_b [7.6465]
_cell_length_c [6.0093]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.1354]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KLi2MoF6]
_chemical_formula_sum '[K2 Li4 Mo2 F12]'
_cell_volume [309.6221]
_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  2  0.4377  0.0000  0.6207  1.0
  Li  Li1  4  0.4470  0.1857  0.1303  1.0
  Mo  Mo2  2  0.4493  0.5000  0.6332  1.0
  F  F3  4  0.4196  0.3033  0.3633  1.0
  F  F4  4  0.4787  0.2976  0.8977  1.0
  F  F5  2  0.1374  0.5000  0.3778  1.0
  F  F6  2  0.2615  0.0000  0.8892  1.0
]