data_HfTiPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   145.54
_cell_angle_beta   145.54
_cell_angle_gamma   49.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTiPt
_chemical_formula_sum   'Hf1 Ti1 Pt1'
_cell_volume   53.48
_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  0.04  1.0
  Ti  Ti2  1  0.0  0.0  0.25  1.0
  Pt  Pt1  1  0.0  0.0  0.73  1.0

data_HfTiPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   114.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfTiPt
_chemical_formula_sum   'Hf2 Ti2 Pt2'
_cell_volume   106.96
_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  2  0.04  0.0  0.04  1.0
  Ti  Ti1  2  0.25  0.0  0.25  1.0
  Pt  Pt2  2  0.23  0.5  0.73  1.0

Hf Ti Pt