data_[K8Cr2O8]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4270]
_cell_length_b [6.4877]
_cell_length_c [9.5276]
_cell_angle_alpha [72.4129]
_cell_angle_beta [80.1760]
_cell_angle_gamma [66.9024]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K4CrO4]
_chemical_formula_sum '[K8 Cr2 O8]'
_cell_volume [347.7254]
_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  0.2254  0.9600  0.6189  1.0
  K  K1  2  0.2412  0.4177  0.8421  1.0
  K  K2  2  0.2530  0.7721  0.0298  1.0
  K  K3  2  0.2729  0.5131  0.4366  1.0
  Cr  Cr4  2  0.2680  0.1562  0.2476  1.0
  O  O5  2  0.0456  0.2896  0.3761  1.0
  O  O6  2  0.1160  0.1684  0.0994  1.0
  O  O7  2  0.4425  0.3352  0.1898  1.0
  O  O8  2  0.4425  0.8622  0.3407  1.0
]