data_NiSnTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.65
_cell_length_b   6.65
_cell_length_c   6.65
_cell_angle_alpha   151.98
_cell_angle_beta   151.98
_cell_angle_gamma   40.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSnTe
_chemical_formula_sum   'Ni1 Sn1 Te1'
_cell_volume   64.86
_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  0.08  1.0
  Sn  Sn1  1  0.0  0.0  0.59  1.0
  Te  Te2  1  0.0  0.0  0.83  1.0

data_NiSnTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   6.65
_cell_angle_alpha   90.0
_cell_angle_beta   110.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NiSnTe
_chemical_formula_sum   'Ni2 Sn2 Te2'
_cell_volume   129.71
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.08  0.0  0.08  1.0
  Sn  Sn1  2  0.09  0.5  0.59  1.0
  Te  Te2  2  0.33  0.5  0.83  1.0

Ni Sn Te
Ni Sn Te 0 2 o o - 1 2 o o o 