data_[K6In2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  In  1.7800  1.5500  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [10.7585]
_cell_length_b [5.5426]
_cell_length_c [5.5505]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [K3InF4]
_chemical_formula_sum '[K6 In2 F8]'
_cell_volume [330.9777]
_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  0.2500  0.7507  0.4494  1.0
  K  K1  2  0.0000  0.2424  0.4441  1.0
  In  In2  2  0.0000  0.7342  0.9340  1.0
  F  F3  4  0.2455  0.2455  0.4566  1.0
  F  F4  2  0.0000  0.1446  0.9510  1.0
  F  F5  2  0.0000  0.7465  0.3437  1.0
]