data_Ni3Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   4.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3Te
_chemical_formula_sum   'Ni6 Te2'
_cell_volume   106.4
_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  1  0.73  0.07  0.19  1.0
  Ni  Ni1  1  0.73  0.93  0.06  1.0
  Ni  Ni2  1  0.17  0.74  0.19  1.0
  Ni  Ni3  1  0.29  0.26  0.06  1.0
  Ni  Ni4  1  0.17  0.26  0.06  1.0
  Ni  Ni5  1  0.29  0.74  0.19  1.0
  Te  Te6  1  0.73  0.5  0.19  1.0
  Te  Te7  1  0.73  0.5  0.06  1.0

data_Ni3Te
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.25
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   118.43
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ni3Te
_chemical_formula_sum   'Ni6 Te2'
_cell_volume   106.4
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.06  0.5  0.07  1.0
  Ni  Ni1  2  0.06  0.94  0.74  1.0
  Ni  Ni2  2  0.06  0.06  0.74  1.0
  Te  Te3  2  0.06  0.5  0.5  1.0

Ni Ni Ni Ni Ni Ni Te Te
Ni Ni Ni Ni Ni Ni Te Te 0 1 o - o 2 5 o o o 3 4 o o o 6 7 o o o 