data_TaNbTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   142.1
_cell_angle_beta   142.1
_cell_angle_gamma   54.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNbTl
_chemical_formula_sum   'Ta1 Nb1 Tl1'
_cell_volume   59.91
_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
  Ta  Ta1  1  0.0  0.0  0.38  1.0
  Nb  Nb0  1  0.0  0.0  0.48  1.0
  Tl  Tl2  1  0.0  0.0  0.43  1.0

data_TaNbTl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   5.43
_cell_angle_alpha   90.0
_cell_angle_beta   117.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaNbTl
_chemical_formula_sum   'Ta2 Nb2 Tl2'
_cell_volume   119.81
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ta  Ta0  2  0.0  0.0  0.62  1.0
  Nb  Nb1  2  0.0  0.0  0.52  1.0
  Tl  Tl2  2  0.0  0.0  0.57  1.0

Ta Nb Tl