data_[Nb4Cr4O16]
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 [Pbcn]
_cell_length_a [4.7297]
_cell_length_b [5.6847]
_cell_length_c [10.1057]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [60]
_chemical_formula_structural [NbCrO4]
_chemical_formula_sum '[Nb4 Cr4 O16]'
_cell_volume [271.7071]
_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
[
  Nb  Nb0  4  0.0000  0.3457  0.7500  1
  Cr  Cr1  4  0.0000  0.0000  0.0000  1
  O  O2  8  0.2150  0.2696  0.9134  1
  O  O3  8  0.2237  0.0402  0.6667  1
]