data_[K4Cr4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cr  1.6600  1.4000  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.5400]
_cell_length_b [5.2084]
_cell_length_c [5.3752]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3017]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KCrF4]
_chemical_formula_sum '[K4 Cr4 F16]'
_cell_volume [357.7584]
_cell_formula_units_Z [4]
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  0.0000  0.2546  0.2500  1.0
  Cr  Cr1  4  0.2500  0.2500  0.0000  1.0
  F  F2  8  0.1039  0.1826  0.9037  1.0
  F  F3  8  0.2207  0.4337  0.6638  1.0
]