data_[K6Y2F14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Y  1.2200  1.8000  1.0400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.6528]
_cell_length_b [8.7314]
_cell_length_c [7.0038]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.9403]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [K3YF7]
_chemical_formula_sum '[K6 Y2 F14]'
_cell_volume [438.9890]
_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  0.4981  0.2711  0.4945  1.0
  K  K1  2  0.0065  0.5000  0.0196  1.0
  Y  Y2  2  0.0445  0.0000  0.0263  1.0
  F  F3  4  0.1225  0.2262  0.2163  1.0
  F  F4  4  0.3577  0.3191  0.7695  1.0
  F  F5  2  0.1429  0.0000  0.7931  1.0
  F  F6  2  0.3568  0.0000  0.2840  1.0
  F  F7  2  0.3676  0.5000  0.1665  1.0
]