data_[Zr2Ta2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ta  1.5000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8411]
_cell_length_b [4.9086]
_cell_length_c [5.8408]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4996]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [ZrTaO4]
_chemical_formula_sum '[Zr2 Ta2 O8]'
_cell_volume [152.3856]
_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  1.0
  Ta  Ta1  2  0.0000  0.0000  0.0000  1.0
  O  O2  4  0.1342  0.7118  0.8325  1.0
  O  O3  4  0.3361  0.1917  0.1352  1.0
]