data_[K2Ti2Cr4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ti  1.5400  1.4000  0.8517
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0962]
_cell_length_b [5.5643]
_cell_length_c [7.7997]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4248]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KTiCr2O8]
_chemical_formula_sum '[K2 Ti2 Cr4 O16]'
_cell_volume [394.0736]
_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  1.0
  Ti  Ti1  2  0.0000  0.0000  0.0000  1.0
  Cr  Cr2  4  0.1394  0.5000  0.7857  1.0
  O  O3  8  0.0406  0.2464  0.8263  1.0
  O  O4  4  0.1841  0.5000  0.5870  1.0
  O  O5  4  0.2050  0.0000  0.0813  1.0
]