data_[Ni6Te4]
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
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.1026]
_cell_length_b [3.8038]
_cell_length_c [7.5372]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.5950]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ni3Te2]
_chemical_formula_sum '[Ni6 Te4]'
_cell_volume [174.8927]
_cell_formula_units_Z [2]
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  2  0.0062  0.7500  0.1231  1.0
  Ni  Ni1  2  0.0077  0.2500  0.3711  1.0
  Ni  Ni2  2  0.2903  0.2500  0.6352  1.0
  Te  Te3  2  0.2806  0.7500  0.8809  1.0
  Te  Te4  2  0.2874  0.7500  0.3823  1.0
]