data_Nb2TlMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   133.33
_cell_angle_beta   133.33
_cell_angle_gamma   68.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2TlMo
_chemical_formula_sum   'Nb2 Tl1 Mo1'
_cell_volume   75.2
_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  0.08  0.17  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.08  0.0  0.17  1.0
  Mo  Mo0  1  0.0  0.0  0.35  1.0

data_Nb2TlMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   5.25
_cell_angle_alpha   113.33
_cell_angle_beta   113.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2TlMo
_chemical_formula_sum   'Nb2 Tl1 Mo1'
_cell_volume   75.2
_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  0.1  0.17  0.1  1.0
  Tl  Tl2  1  0.17  0.1  0.1  1.0
  Mo  Mo3  1  0.35  0.35  0.35  1.0

Nb Nb Tl Mo