data_NbTlMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   147.67
_cell_angle_beta   128.35
_cell_angle_gamma   62.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTlMo
_chemical_formula_sum   'Nb1 Tl1 Mo1'
_cell_volume   56.01
_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  0.85  1.0
  Tl  Tl2  1  0.0  0.0  0.94  1.0
  Mo  Mo0  1  0.0  0.0  0.77  1.0

data_NbTlMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.47
_cell_length_c   5.13
_cell_angle_alpha   115.82
_cell_angle_beta   106.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTlMo
_chemical_formula_sum   'Nb1 Tl1 Mo1'
_cell_volume   56.01
_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  0.15  0.15  0.15  1.0
  Tl  Tl1  1  0.06  0.06  0.06  1.0
  Mo  Mo2  1  0.23  0.23  0.23  1.0

Nb Tl Mo