data_[K6Fe10F30]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Fe  1.8300  1.4000  0.8525
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [12.8979]
_cell_length_b [12.8979]
_cell_length_c [4.0559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [K3Fe5F15]
_chemical_formula_sum '[K6 Fe10 F30]'
_cell_volume [674.7303]
_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  0.1753  0.3247  0.5000  1
  K  K1  2  0.0000  0.0000  0.5000  1
  Fe  Fe2  8  0.0767  0.7871  0.0000  1
  Fe  Fe3  2  0.0000  0.5000  0.0000  1
  F  F4  8  0.0073  0.3475  0.0000  1
  F  F5  8  0.0700  0.1414  0.0000  1
  F  F6  8  0.0762  0.7909  0.5000  1
  F  F7  4  0.2234  0.7234  0.0000  1
  F  F8  2  0.0000  0.5000  0.5000  1
]