data_Hf2InPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   5.59
_cell_angle_alpha   137.27
_cell_angle_beta   137.27
_cell_angle_gamma   62.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2InPt
_chemical_formula_sum   'Hf2 In1 Pt1'
_cell_volume   79.68
_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  0.0  0.8  1.0
  Hf  Hf1  1  0.0  0.04  0.4  1.0
  In  In2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.04  0.0  0.4  1.0

data_Hf2InPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   5.59
_cell_angle_alpha   111.36
_cell_angle_beta   111.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2InPt
_chemical_formula_sum   'Hf2 In1 Pt1'
_cell_volume   79.68
_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  0.2  0.0  0.2  1.0
  Hf  Hf1  1  0.64  0.04  0.64  1.0
  In  In2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.6  0.0  0.64  1.0

Hf Hf In Pt
Hf Hf In Pt 0 2 o o + 1 3 o o o 