data_NiSb2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18
_cell_length_b   4.33
_cell_length_c   5.53
_cell_angle_alpha   90.0
_cell_angle_beta   105.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSb2Te
_chemical_formula_sum   'Ni1 Sb2 Te1'
_cell_volume   96.38
_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  0.0  1.0
  Sb  Sb1  1  0.06  0.16  0.08  1.0
  Sb  Sb2  1  0.66  0.16  0.25  1.0
  Te  Te3  1  0.27  0.0  0.66  1.0

data_NiSb2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.18
_cell_length_b   4.33
_cell_length_c   5.53
_cell_angle_alpha   90.0
_cell_angle_beta   105.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSb2Te
_chemical_formula_sum   'Ni1 Sb2 Te1'
_cell_volume   96.38
_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  0.0  1.0
  Sb  Sb1  1  0.06  0.16  0.08  1.0
  Sb  Sb2  1  0.66  0.16  0.25  1.0
  Te  Te3  1  0.27  0.0  0.66  1.0

Ni Sb Sb Te
Ni Sb Sb Te 0 1 o o o 0 2 - o o 0 3 o o - 0 3 - o - 1 2 o o o 1 2 - o o 1 3 o o - 2 3 + o o 