data_HgPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   9.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgPt3
_chemical_formula_sum   'Hg4 Pt12'
_cell_volume   269.64
_cell_formula_units_Z   4
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
  Hg  Hg0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.0  0.7  1.0
  Hg  Hg2  1  0.0  0.32  0.35  1.0
  Hg  Hg3  1  0.88  0.66  0.05  1.0
  Pt  Pt4  1  0.56  0.49  0.0  1.0
  Pt  Pt5  1  0.56  0.49  0.7  1.0
  Pt  Pt6  1  0.0  0.71  0.05  1.0
  Pt  Pt7  1  0.6  0.13  0.05  1.0
  Pt  Pt8  1  0.48  0.85  0.35  1.0
  Pt  Pt9  1  0.88  0.0  0.0  1.0
  Pt  Pt10  1  0.88  0.0  0.7  1.0
  Pt  Pt11  1  0.44  0.49  0.0  1.0
  Pt  Pt12  1  0.44  0.49  0.7  1.0
  Pt  Pt13  1  0.4  0.13  0.05  1.0
  Pt  Pt14  1  0.28  0.85  0.35  1.0
  Pt  Pt15  1  0.88  0.28  0.35  1.0

data_HgPt3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   9.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgPt3
_chemical_formula_sum   'Hg4 Pt12'
_cell_volume   269.64
_cell_formula_units_Z   4
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
  Hg  Hg0  1  -0.0  0.32  0.35  1.0
  Hg  Hg1  1  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.0  0.0  0.7  1.0
  Hg  Hg3  1  0.88  0.66  0.05  1.0
  Pt  Pt4  1  -0.0  0.71  0.05  1.0
  Pt  Pt5  1  0.28  0.85  0.35  1.0
  Pt  Pt6  1  0.4  0.13  0.05  1.0
  Pt  Pt7  1  0.44  0.49  0.0  1.0
  Pt  Pt8  1  0.44  0.49  0.7  1.0
  Pt  Pt9  1  0.48  0.85  0.35  1.0
  Pt  Pt10  1  0.56  0.49  0.0  1.0
  Pt  Pt11  1  0.56  0.49  0.7  1.0
  Pt  Pt12  1  0.6  0.13  0.05  1.0
  Pt  Pt13  1  0.88  0.0  0.0  1.0
  Pt  Pt14  1  0.88  0.0  0.7  1.0
  Pt  Pt15  1  0.88  0.28  0.35  1.0

Hg Hg Hg Hg Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt