data_[K12Mo4F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mo  2.1600  1.4500  0.7750
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [8.0540]
_cell_length_b [15.2939]
_cell_length_c [7.0450]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K3MoF6]
_chemical_formula_sum '[K12 Mo4 F24]'
_cell_volume [867.7844]
_cell_formula_units_Z [4]
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  8  0.2209  0.0876  0.9071  1.0
  K  K1  4  0.0000  0.2937  0.0250  1.0
  Mo  Mo2  4  0.0000  0.1585  0.4542  1.0
  F  F3  8  0.1746  0.2539  0.3820  1.0
  F  F4  8  0.2067  0.0742  0.5232  1.0
  F  F5  4  0.0000  0.1186  0.1665  1.0
  F  F6  4  0.0000  0.1873  0.7444  1.0
]