data_[Ni2Te1H1O6]
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
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.9818]
_cell_length_b [5.1547]
_cell_length_c [5.5578]
_cell_angle_alpha [63.6476]
_cell_angle_beta [89.8948]
_cell_angle_gamma [61.3381]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ni2TeHO6]
_chemical_formula_sum '[Ni2 Te1 H1 O6]'
_cell_volume [108.1015]
_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  0.5210  0.9366  0.5789  1.0
  Ni  Ni1  1  0.9881  0.9876  0.0312  1.0
  Te  Te2  1  0.3136  0.3465  0.9797  1.0
  H  H3  1  0.9145  0.4594  0.2762  1.0
  O  O4  1  0.1047  0.4752  0.2661  1.0
  O  O5  1  0.2387  0.7997  0.8003  1.0
  O  O6  1  0.3537  0.9083  0.2370  1.0
  O  O7  1  0.5977  0.1497  0.7877  1.0
  O  O8  1  0.7023  0.1501  0.2496  1.0
  O  O9  1  0.9273  0.4637  0.7782  1.0
]