data_HfMoPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39
_cell_length_b   3.39
_cell_length_c   5.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMoPt2
_chemical_formula_sum   'Hf1 Mo1 Pt2'
_cell_volume   68.47
_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  0.69  0.69  0.88  1.0
  Mo  Mo1  1  0.0  0.0  0.64  1.0
  Pt  Pt2  1  0.69  0.69  0.86  1.0
  Pt  Pt3  1  0.0  0.0  0.54  1.0

data_HfMoPt2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   5.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfMoPt2
_chemical_formula_sum   'Hf2 Mo2 Pt4'
_cell_volume   136.95
_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  0.19  0.5  0.88  1.0
  Mo  Mo1  2  0.0  0.0  0.64  1.0
  Pt  Pt2  2  0.0  0.0  0.54  1.0
  Pt  Pt3  2  0.19  0.5  0.86  1.0

Hf Mo Pt Pt
Hf Mo Pt Pt 0 2 o o o 1 3 o o o 