data_NiSbTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06
_cell_length_b   6.06
_cell_length_c   6.17
_cell_angle_alpha   118.08
_cell_angle_beta   118.08
_cell_angle_gamma   35.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSbTe2
_chemical_formula_sum   'Ni1 Sb1 Te2'
_cell_volume   114.74
_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  0.58  0.0  0.34  1.0
  Sb  Sb1  1  0.78  0.0  0.36  1.0
  Te  Te2  1  0.39  0.0  0.06  1.0
  Te  Te3  1  0.93  0.0  0.64  1.0

data_NiSbTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   6.06
_cell_length_c   6.17
_cell_angle_alpha   118.08
_cell_angle_beta   90.0
_cell_angle_gamma   107.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSbTe2
_chemical_formula_sum   'Ni1 Sb1 Te2'
_cell_volume   114.74
_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  0.42  0.66  1.0
  Sb  Sb1  1  0.0  0.22  0.64  1.0
  Te  Te2  1  0.0  0.07  0.36  1.0
  Te  Te3  1  0.0  0.61  0.94  1.0

Ni Sb Te Te