data_[Zr2Cr4Re2O16]
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
  Re  1.9000  1.3500  0.7125
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.5901]
_cell_length_b [6.6959]
_cell_length_c [6.2363]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [ZrCr2ReO8]
_chemical_formula_sum '[Zr2 Cr4 Re2 O16]'
_cell_volume [275.1840]
_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  0.0000  0.5000  1.0
  Cr  Cr1  4  0.0000  0.5000  0.2501  1.0
  Re  Re2  2  0.0000  0.0000  0.0000  1.0
  O  O3  8  0.0000  0.1971  0.2305  1.0
  O  O4  4  0.1880  0.5000  0.5000  1.0
  O  O5  4  0.2089  0.5000  0.0000  1.0
]