data_Hf2TlGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   4.29
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   104.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TlGa
_chemical_formula_sum   'Hf2 Tl1 Ga1'
_cell_volume   84.24
_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
  Hf  Hf1  1  0.64  0.15  0.63  1.0
  Hf  Hf2  1  0.46  0.0  0.54  1.0
  Tl  Tl3  1  0.75  0.15  0.84  1.0
  Ga  Ga0  1  0.04  0.0  0.61  1.0

data_Hf2TlGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.29
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   104.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TlGa
_chemical_formula_sum   'Hf2 Tl1 Ga1'
_cell_volume   84.24
_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
  Hf  Hf0  1  0.46  0.0  0.54  1.0
  Hf  Hf1  1  0.64  0.15  0.63  1.0
  Tl  Tl2  1  0.75  0.15  0.84  1.0
  Ga  Ga3  1  0.04  0.0  0.61  1.0

Hf Hf Tl Ga
Hf Hf Tl Ga 0 1 o o o 0 2 o o o 0 3 + o o 1 3 o o o 