data_[Ta2Ni1Te2O10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ni  1.9100  1.3500  0.7400
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.8713]
_cell_length_b [6.4079]
_cell_length_c [6.4751]
_cell_angle_alpha [84.6236]
_cell_angle_beta [72.1450]
_cell_angle_gamma [69.0215]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ta2Ni(TeO5)2]
_chemical_formula_sum '[Ta2 Ni1 Te2 O10]'
_cell_volume [179.6016]
_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
[
  Ta  Ta0  2  0.3528  0.3910  0.3608  1
  Ni  Ni1  1  0.0000  0.0000  0.5000  1
  Te  Te2  2  0.2546  0.1904  0.8993  1
  O  O3  2  0.0150  0.2979  0.5358  1
  O  O4  2  0.2618  0.4097  0.0926  1
  O  O5  2  0.3036  0.9641  0.1653  1
  O  O6  2  0.3184  0.8830  0.6789  1
  O  O7  2  0.3999  0.4086  0.6733  1
]