data_Hg3Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   139.57
_cell_angle_beta   81.59
_cell_angle_gamma   112.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg3Pt
_chemical_formula_sum   'Hg3 Pt1'
_cell_volume   90.33
_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
  Hg  Hg0  1  0.0  0.42  0.01  1.0
  Hg  Hg1  1  0.0  0.07  0.52  1.0
  Hg  Hg2  1  0.86  0.66  0.03  1.0
  Pt  Pt3  1  0.0  0.0  0.41  1.0

data_Hg3Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   67.35
_cell_angle_beta   69.79
_cell_angle_gamma   69.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg3Pt
_chemical_formula_sum   'Hg3 Pt1'
_cell_volume   90.33
_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
  Hg  Hg0  1  0.48  0.0  0.45  1.0
  Hg  Hg1  1  0.97  0.86  0.37  1.0
  Hg  Hg2  1  0.99  0.0  0.6  1.0
  Pt  Pt3  1  0.59  0.0  0.41  1.0

Hg Hg Hg Pt