data_[K2Cr4Cu2F16]
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
  Cu  1.9000  1.3500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.0998]
_cell_length_b [7.7459]
_cell_length_c [6.3705]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [KCr2CuF8]
_chemical_formula_sum '[K2 Cr4 Cu2 F16]'
_cell_volume [350.3399]
_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  2  0.0000  0.0000  0.5000  1
  Cr  Cr1  4  0.0000  0.5000  0.2420  1
  Cu  Cu2  2  0.0000  0.0000  0.0000  1
  F  F3  8  0.2283  0.0000  0.2160  1
  F  F4  4  0.0000  0.3343  0.0000  1
  F  F5  4  0.0000  0.3436  0.5000  1
]