data_NbTlGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   3.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTlGa2
_chemical_formula_sum   'Nb1 Tl1 Ga2'
_cell_volume   81.2
_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  Nb2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.06  0.0  0.0  1.0
  Ga  Ga0  1  0.53  0.84  0.53  1.0
  Ga  Ga1  1  0.53  0.16  0.53  1.0

data_NbTlGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   109.34
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTlGa2
_chemical_formula_sum   'Nb1 Tl1 Ga2'
_cell_volume   81.2
_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
  Tl  Tl1  1  0.0  0.06  0.0  1.0
  Ga  Ga2  1  0.53  0.53  0.16  1.0
  Ga  Ga3  1  0.53  0.53  0.84  1.0

Nb Tl Ga Ga