data_NiSb2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   6.37
_cell_angle_alpha   114.65
_cell_angle_beta   114.65
_cell_angle_gamma   43.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSb2Te
_chemical_formula_sum   'Ni1 Sb2 Te1'
_cell_volume   100.84
_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  0.97  0.0  0.8  1.0
  Sb  Sb1  1  0.3  0.0  0.6  1.0
  Sb  Sb2  1  0.88  0.0  0.65  1.0
  Te  Te3  1  0.63  0.0  0.49  1.0

data_NiSb2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   5.06
_cell_length_c   6.27
_cell_angle_alpha   67.5
_cell_angle_beta   72.46
_cell_angle_gamma   68.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSb2Te
_chemical_formula_sum   'Ni1 Sb2 Te1'
_cell_volume   100.84
_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  0.17  0.8  1.0
  Sb  Sb1  1  0.0  0.23  0.65  1.0
  Sb  Sb2  1  0.0  0.7  0.6  1.0
  Te  Te3  1  0.0  0.14  0.49  1.0

Ni Sb Sb Te