data_NiTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86
_cell_length_b   3.7
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   101.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiTe
_chemical_formula_sum   'Ni2 Te2'
_cell_volume   72.61
_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  0.06  0.78  0.57  1.0
  Ni  Ni1  1  0.78  0.93  0.5  1.0
  Te  Te2  1  0.91  0.78  0.94  1.0
  Te  Te3  1  0.93  0.93  0.13  1.0

data_NiTe
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.7
_cell_length_b   3.86
_cell_length_c   5.18
_cell_angle_alpha   101.44
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NiTe
_chemical_formula_sum   'Ni2 Te2'
_cell_volume   72.61
_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  0.07  0.86  0.96  1.0
  Te  Te1  2  0.07  0.01  0.59  1.0

Ni Ni Te Te