data_Ni2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   4.46
_cell_angle_alpha   135.0
_cell_angle_beta   135.0
_cell_angle_gamma   65.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2Te
_chemical_formula_sum   'Ni2 Te1'
_cell_volume   43.77
_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  0.0  0.0  0.02  1.0
  Ni  Ni1  1  0.0  0.0  0.48  1.0
  Te  Te2  1  0.0  0.0  0.0  1.0

data_Ni2Te
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.46
_cell_angle_alpha   90.0
_cell_angle_beta   122.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ni2Te
_chemical_formula_sum   'Ni4 Te2'
_cell_volume   87.53
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.02  0.5  0.52  1.0
  Ni  Ni1  2  0.48  0.5  0.98  1.0
  Te  Te2  2  0.0  0.0  0.0  1.0

Ni Ni Te