data_Hf2TaSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   5.45
_cell_angle_alpha   133.4
_cell_angle_beta   133.4
_cell_angle_gamma   68.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TaSn
_chemical_formula_sum   'Hf2 Ta1 Sn1'
_cell_volume   83.79
_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  0.0  0.15  0.26  1.0
  Hf  Hf1  1  0.15  0.0  0.26  1.0
  Ta  Ta3  1  0.0  0.0  0.51  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0

data_Hf2TaSn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   124.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2TaSn
_chemical_formula_sum   'Hf4 Ta2 Sn2'
_cell_volume   167.57
_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
  Hf  Hf0  4  0.32  0.42  0.9  1.0
  Ta  Ta1  2  0.49  0.0  0.49  1.0
  Sn  Sn2  2  0.0  0.0  0.0  1.0

Hf Hf Ta Sn
Hf Hf Ta Sn 0 3 o o o 0 1 o o o 0 2 o o o 1 3 o o o 1 2 o o o 