data_[K1Sn2Mo1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sn  1.9600  1.4500  0.8300
  Mo  2.1600  1.4500  0.7750
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1462]
_cell_length_b [5.5345]
_cell_length_c [7.8230]
_cell_angle_alpha [86.8038]
_cell_angle_beta [87.4495]
_cell_angle_gamma [88.3666]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KSn2MoF8]
_chemical_formula_sum '[K1 Sn2 Mo1 F8]'
_cell_volume [222.1693]
_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
  Sn  Sn1  2  0.4801  0.5011  0.2441  1.0
  Mo  Mo2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.1851  0.7960  0.8051  1.0
  F  F4  2  0.2446  0.8742  0.1997  1.0
  F  F5  2  0.2517  0.2934  0.9374  1.0
  F  F6  2  0.3033  0.3527  0.5649  1.0
]