data_Hf2TaIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03
_cell_length_b   5.04
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   97.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TaIn
_chemical_formula_sum   'Hf2 Ta1 In1'
_cell_volume   84.72
_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  0.36  0.0  0.51  1.0
  Hf  Hf1  1  0.08  0.52  0.3  1.0
  Ta  Ta3  1  0.23  0.52  0.27  1.0
  In  In2  1  0.1  0.0  0.79  1.0

data_Hf2TaIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   5.04
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   97.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TaIn
_chemical_formula_sum   'Hf2 Ta1 In1'
_cell_volume   84.72
_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  0.08  0.52  0.3  1.0
  Hf  Hf1  1  0.36  0.0  0.51  1.0
  Ta  Ta2  1  0.23  0.52  0.27  1.0
  In  In3  1  0.1  0.0  0.79  1.0

Hf Hf Ta In
Hf Hf Ta In 0 3 o o o 1 2 o o o 