data_[Nb2Cr2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6320]
_cell_length_b [4.7645]
_cell_length_c [5.6552]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.5420]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NbCrO4]
_chemical_formula_sum '[Nb2 Cr2 O8]'
_cell_volume [138.0380]
_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
[
  Nb  Nb0  2  0.0000  0.0000  0.0000  1
  Cr  Cr1  2  0.5000  0.0000  0.5000  1
  O  O2  4  0.1495  0.6935  0.8454  1
  O  O3  4  0.3419  0.1944  0.1439  1
]