data_Nb2TeMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44
_cell_length_b   4.51
_cell_length_c   4.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2TeMo
_chemical_formula_sum   'Nb2 Te1 Mo1'
_cell_volume   72.63
_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
  Nb  Nb1  1  0.72  0.0  0.34  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.26  0.34  1.0
  Mo  Mo0  1  0.72  0.26  0.0  1.0

data_Nb2TeMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   4.51
_cell_length_c   4.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2TeMo
_chemical_formula_sum   'Nb2 Te1 Mo1'
_cell_volume   72.63
_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
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.72  0.0  0.34  1.0
  Te  Te2  1  0.0  0.26  0.34  1.0
  Mo  Mo3  1  0.72  0.26  0.0  1.0

Nb Nb Te Mo
Nb Nb Te Mo 0 2 + o o 1 3 - o o 