data_Ni2BiTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   5.84
_cell_angle_alpha   141.55
_cell_angle_beta   141.55
_cell_angle_gamma   55.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2BiTe
_chemical_formula_sum   'Ni2 Bi1 Te1'
_cell_volume   76.63
_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  Ni1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.92  0.0  0.59  1.0
  Bi  Bi0  1  0.0  0.92  0.59  1.0
  Te  Te3  1  0.0  0.0  0.17  1.0

data_Ni2BiTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   3.85
_cell_length_c   5.84
_cell_angle_alpha   109.22
_cell_angle_beta   109.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2BiTe
_chemical_formula_sum   'Ni2 Bi1 Te1'
_cell_volume   76.63
_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  0.41  0.0  0.34  1.0
  Bi  Bi2  1  0.34  0.92  0.34  1.0
  Te  Te3  1  0.83  0.0  0.83  1.0

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