data_[Li1Ta2Ni1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ta  1.5000  1.4500  0.8200
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2076]
_cell_length_b [5.2458]
_cell_length_c [5.5307]
_cell_angle_alpha [90.0263]
_cell_angle_beta [117.7446]
_cell_angle_gamma [119.3289]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiTa2NiO6]
_chemical_formula_sum '[Li1 Ta2 Ni1 O6]'
_cell_volume [111.3489]
_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
[
  Li  Li0  1  0.5800  0.7882  0.3590  1
  Ta  Ta1  1  0.0007  0.4943  0.4969  1
  Ta  Ta2  1  0.0089  0.9990  0.0031  1
  Ni  Ni3  1  0.5694  0.2892  0.8638  1
  O  O4  1  0.0536  0.8353  0.6992  1
  O  O5  1  0.1235  0.7538  0.2339  1
  O  O6  1  0.4793  0.3628  0.2005  1
  O  O7  1  0.4827  0.6304  0.7196  1
  O  O8  1  0.8479  0.2266  0.7087  1
  O  O9  1  0.8530  0.1201  0.2141  1
]