data_[K12Cr4O16]
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 [Pnma]
_cell_length_a [7.8489]
_cell_length_b [8.7279]
_cell_length_c [8.5055]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [K3CrO4]
_chemical_formula_sum '[K12 Cr4 O16]'
_cell_volume [582.6652]
_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  8  0.0411  0.0281  0.2753  1
  K  K1  4  0.1740  0.7500  0.0243  1
  Cr  Cr2  4  0.2225  0.7500  0.5112  1
  O  O3  8  0.1783  0.0819  0.9565  1
  O  O4  4  0.0180  0.7500  0.4319  1
  O  O5  4  0.2135  0.7500  0.7162  1
]