data_[Ce2Ti2Cr4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [Cmmm]
_cell_length_a [6.5965]
_cell_length_b [6.8137]
_cell_length_c [6.3138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [CeTiCr2O8]
_chemical_formula_sum '[Ce2 Ti2 Cr4 O16]'
_cell_volume [283.7798]
_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
[
  Ce  Ce0  2  0.0000  0.0000  0.5000  1
  Ti  Ti1  2  0.0000  0.0000  0.0000  1
  Cr  Cr2  4  0.0000  0.5000  0.2415  1
  O  O3  8  0.2019  0.0000  0.2191  1
  O  O4  4  0.0000  0.3122  0.0000  1
  O  O5  4  0.0000  0.3275  0.5000  1
]