data_Tl2GaFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   5.53
_cell_angle_alpha   105.9
_cell_angle_beta   105.9
_cell_angle_gamma   35.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2GaFe
_chemical_formula_sum   'Tl2 Ga1 Fe1'
_cell_volume   88.75
_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  0.16  0.0  0.25  1.0
  Tl  Tl3  1  0.54  0.0  0.05  1.0
  Ga  Ga1  1  0.35  0.0  0.65  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0

data_Tl2GaFe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   5.39
_cell_length_c   5.53
_cell_angle_alpha   105.9
_cell_angle_beta   90.0
_cell_angle_gamma   107.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2GaFe
_chemical_formula_sum   'Tl2 Ga1 Fe1'
_cell_volume   88.75
_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  0.46  0.95  1.0
  Tl  Tl1  1  0.0  0.84  0.75  1.0
  Ga  Ga2  1  0.0  0.65  0.35  1.0
  Fe  Fe3  1  0.0  0.0  0.0  1.0

Tl Tl Ga Fe