data_[K8Cr64]
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
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [5.4852]
_cell_length_b [8.5785]
_cell_length_c [24.1970]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [KCr8]
_chemical_formula_sum '[K8 Cr64]'
_cell_volume [1138.5805]
_cell_formula_units_Z [8]
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  8  0.0000  0.0000  0.0000  1
  Cr  Cr1  32  0.0460  0.1493  0.5556  1
  Cr  Cr2  32  0.1093  0.1328  0.8672  1
]