data_Tl2GaFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.94
_cell_length_b   6.94
_cell_length_c   6.94
_cell_angle_alpha   155.07
_cell_angle_beta   141.96
_cell_angle_gamma   46.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2GaFe
_chemical_formula_sum   'Tl2 Ga1 Fe1'
_cell_volume   86.55
_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
  Tl  Tl2  1  0.0  0.0  0.73  1.0
  Tl  Tl3  1  0.0  0.26  0.44  1.0
  Ga  Ga1  1  0.5  0.0  0.21  1.0
  Fe  Fe0  1  0.0  0.0  0.18  1.0

data_Tl2GaFe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   4.52
_cell_length_c   6.94
_cell_angle_alpha   109.02
_cell_angle_beta   102.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2GaFe
_chemical_formula_sum   'Tl2 Ga1 Fe1'
_cell_volume   86.55
_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
  Tl  Tl0  1  0.0  0.73  0.73  1.0
  Tl  Tl1  1  0.74  0.17  0.17  1.0
  Ga  Ga2  1  0.0  0.21  0.71  1.0
  Fe  Fe3  1  0.0  0.18  0.18  1.0

Tl Tl Ga Fe