data_[Zr4Ta4O16]
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 [C2/c]
_cell_length_a [6.5465]
_cell_length_b [10.7932]
_cell_length_c [5.0856]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.8517]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [ZrTaO4]
_chemical_formula_sum '[Zr4 Ta4 O16]'
_cell_volume [279.8407]
_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
[
  Zr  Zr0  4  0.0000  0.3668  0.7500  1
  Ta  Ta1  4  0.0000  0.0936  0.2500  1
  O  O2  8  0.1322  0.2130  0.1092  1
  O  O3  8  0.2396  0.4705  0.2651  1
]