data_[Yb2Th2O7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Th  1.3000  1.8000  1.0800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.0887]
_cell_length_b [4.0887]
_cell_length_c [9.3927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Yb2Th2O7]
_chemical_formula_sum '[Yb2 Th2 O7]'
_cell_volume [157.0258]
_cell_formula_units_Z [1]
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
[
  Yb  Yb0  2  0.0000  0.5000  0.1098  1
  Th  Th1  2  0.0000  0.5000  0.6474  1
  O  O2  2  0.0000  0.0000  0.2086  1
  O  O3  2  0.5000  0.5000  0.2133  1
  O  O4  1  0.0000  0.0000  0.5000  1
  O  O5  1  0.5000  0.5000  0.0000  1
  O  O6  1  0.5000  0.5000  0.5000  1
]