data_[K1Mo1H2F8]
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
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9822]
_cell_length_b [4.9876]
_cell_length_c [7.8101]
_cell_angle_alpha [93.5855]
_cell_angle_beta [96.0310]
_cell_angle_gamma [109.2690]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KMoH2F8]
_chemical_formula_sum '[K1 Mo1 H2 F8]'
_cell_volume [181.2123]
_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  1  0.0000  0.0000  0.5000  1.0
  Mo  Mo1  1  0.0000  0.0000  0.0000  1.0
  H  H2  2  0.3268  0.5504  0.3153  1.0
  F  F3  2  0.2062  0.2203  0.8288  1.0
  F  F4  2  0.2397  0.7793  0.0074  1.0
  F  F5  2  0.2450  0.2593  0.2004  1.0
  F  F6  2  0.3502  0.6931  0.4116  1.0
]