data_[Ni2Te1Pd1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Te  2.1000  1.4000  1.2933
  Pd  2.2000  1.4000  0.8462
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.9816]
_cell_length_b [5.3402]
_cell_length_c [5.4810]
_cell_angle_alpha [66.9132]
_cell_angle_beta [63.3823]
_cell_angle_gamma [88.4398]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ni2TePdO6]
_chemical_formula_sum '[Ni2 Te1 Pd1 O6]'
_cell_volume [117.9469]
_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
[
  Ni  Ni0  1  0.4467  0.4317  0.0895  1.0
  Ni  Ni1  1  0.9917  0.9611  0.0443  1.0
  Te  Te2  1  0.6836  0.0302  0.6353  1.0
  Pd  Pd3  1  0.1728  0.5370  0.6428  1.0
  O  O4  1  0.0659  0.2640  0.5090  1.0
  O  O5  1  0.2937  0.7532  0.8278  1.0
  O  O6  1  0.3918  0.2474  0.8359  1.0
  O  O7  1  0.6540  0.8005  0.0248  1.0
  O  O8  1  0.7091  0.2031  0.2442  1.0
  O  O9  1  0.9290  0.7870  0.4697  1.0
]