data_NbTlMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   7.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTlMo
_chemical_formula_sum   'Nb1 Tl1 Mo1'
_cell_volume   57.75
_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  0.0  0.0  0.44  1.0
  Tl  Tl2  1  0.49  0.86  0.04  1.0
  Mo  Mo0  1  1.0  0.72  0.03  1.0

data_NbTlMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   7.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTlMo
_chemical_formula_sum   'Nb1 Tl1 Mo1'
_cell_volume   57.75
_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  0.44  1.0
  Tl  Tl1  1  0.49  0.86  0.04  1.0
  Mo  Mo2  1  1.0  0.72  0.03  1.0

Nb Tl Mo
Nb Tl Mo 0 1 - - o 0 1 o - o 0 0 + + o 0 0 o + o 0 0 + o o 0 2 - - o 1 2 - o o 