data_[Zr2U2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  U  1.3800  1.7500  0.9913
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.0575]
_cell_length_b [5.0715]
_cell_length_c [6.1007]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4613]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [ZrUO4]
_chemical_formula_sum '[Zr2 U2 O8]'
_cell_volume [174.4224]
_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  0.5000  0.0000  0.5000  1
  U  U1  2  0.0000  0.0000  0.0000  1
  O  O2  4  0.1592  0.1810  0.3600  1
  O  O3  4  0.3576  0.7027  0.6654  1
]