data_[K2Cr2Ni2O8]
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
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.9226]
_cell_length_b [5.7677]
_cell_length_c [7.5933]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8651]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KCrNiO4]
_chemical_formula_sum '[K2 Cr2 Ni2 O8]'
_cell_volume [209.3052]
_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  0.3077  0.2500  0.8762  1
  Cr  Cr1  2  0.1169  0.2500  0.2962  1
  Ni  Ni2  2  0.3778  0.7500  0.4859  1
  O  O3  4  0.3698  0.0219  0.3179  1
  O  O4  2  0.0116  0.2500  0.4932  1
  O  O5  2  0.1128  0.7500  0.9038  1
]