data_[Y4Re4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Re  1.9000  1.3500  0.7125
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.9865]
_cell_length_b [6.3941]
_cell_length_c [7.5652]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.0117]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [YReO5]
_chemical_formula_sum '[Y4 Re4 O20]'
_cell_volume [393.9392]
_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
[
  Y  Y0  4  0.0000  0.4497  0.2500  1.0
  Re  Re1  4  0.0000  0.0000  0.0000  1.0
  O  O2  8  0.0128  0.2894  0.9626  1.0
  O  O3  8  0.2250  0.0194  0.6163  1.0
  O  O4  4  0.0000  0.0740  0.2500  1.0
]