data_[Ce1V1Cr2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  V  1.6300  1.3500  0.7775
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3474]
_cell_length_b [5.3558]
_cell_length_c [5.5797]
_cell_angle_alpha [90.4091]
_cell_angle_beta [118.0281]
_cell_angle_gamma [119.3566]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CeVCr2O6]
_chemical_formula_sum '[Ce1 V1 Cr2 O6]'
_cell_volume [116.9389]
_cell_formula_units_Z [1]
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  1  0.4134  0.2055  0.6255  1
  V  V1  1  0.3640  0.6756  0.0513  1
  Cr  Cr2  1  0.9565  0.4783  0.4360  1
  Cr  Cr3  1  0.9769  0.9895  0.9676  1
  O  O4  1  0.1052  0.8308  0.7465  1
  O  O5  1  0.1413  0.7630  0.2322  1
  O  O6  1  0.4706  0.3805  0.2226  1
  O  O7  1  0.4785  0.6453  0.7553  1
  O  O8  1  0.8616  0.1015  0.2336  1
  O  O9  1  0.9088  0.2685  0.7446  1
]