data_Hf2GaSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   133.85
_cell_angle_beta   128.32
_cell_angle_gamma   71.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2GaSn
_chemical_formula_sum   'Hf2 Ga1 Sn1'
_cell_volume   81.28
_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  0.0  0.3  0.2  1.0
  Hf  Hf2  1  0.07  0.0  0.08  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.0  0.27  1.0

data_Hf2GaSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.14
_cell_length_b   4.6
_cell_length_c   5.28
_cell_angle_alpha   115.84
_cell_angle_beta   113.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2GaSn
_chemical_formula_sum   'Hf2 Ga1 Sn1'
_cell_volume   81.28
_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  0.8  0.1  0.1  1.0
  Hf  Hf1  1  0.99  0.92  0.99  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.73  0.73  0.73  1.0

Hf Hf Ga Sn
Hf Hf Ga Sn 0 2 o o o 0 1 o o o 1 2 o o o 1 3 o o o 2 3 o o o 