data_Ni2SbTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   5.69
_cell_angle_alpha   140.85
_cell_angle_beta   140.85
_cell_angle_gamma   56.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2SbTe
_chemical_formula_sum   'Ni2 Sb1 Te1'
_cell_volume   72.81
_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
  Ni  Ni1  1  0.91  0.0  0.51  1.0
  Sb  Sb2  1  0.0  0.0  0.01  1.0
  Te  Te3  1  0.0  0.91  0.51  1.0

data_Ni2SbTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   3.81
_cell_length_c   5.69
_cell_angle_alpha   109.57
_cell_angle_beta   109.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2SbTe
_chemical_formula_sum   'Ni2 Sb1 Te1'
_cell_volume   72.81
_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
  Ni  Ni1  1  0.49  0.0  0.4  1.0
  Sb  Sb2  1  0.99  0.0  0.99  1.0
  Te  Te3  1  0.4  0.91  0.4  1.0

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