data_Nb2TlGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   4.31
_cell_length_c   6.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2TlGa
_chemical_formula_sum   'Nb2 Tl1 Ga1'
_cell_volume   80.93
_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  0.54  0.16  0.01  1.0
  Nb  Nb2  1  0.0  0.0  0.5  1.0
  Tl  Tl3  1  0.54  0.16  0.04  1.0
  Ga  Ga0  1  0.0  0.0  0.58  1.0

data_Nb2TlGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.31
_cell_length_c   6.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2TlGa
_chemical_formula_sum   'Nb2 Tl1 Ga1'
_cell_volume   80.93
_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  0.5  1.0
  Nb  Nb1  1  0.54  0.16  0.01  1.0
  Tl  Tl2  1  0.54  0.16  0.04  1.0
  Ga  Ga3  1  0.0  0.0  0.58  1.0

Nb Nb Tl Ga