data_[Zr2Cr2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [4.8806]
_cell_length_b [5.2175]
_cell_length_c [5.0837]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.8639]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [ZrCrO4]
_chemical_formula_sum '[Zr2 Cr2 O8]'
_cell_volume [128.2374]
_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
[
  Zr  Zr0  2  0.0000  0.2265  0.2500  1.0
  Cr  Cr1  2  0.5000  0.3182  0.7500  1.0
  O  O2  4  0.2430  0.0771  0.5965  1.0
  O  O3  4  0.2572  0.4429  0.9870  1.0
]