data_HgMo2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   4.92
_cell_angle_alpha   99.95
_cell_angle_beta   99.95
_cell_angle_gamma   32.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgMo2Pt
_chemical_formula_sum   'Hg1 Mo2 Pt1'
_cell_volume   67.42
_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  0.43  0.0  0.42  1.0
  Mo  Mo1  1  0.83  0.0  0.71  1.0
  Mo  Mo2  1  0.03  0.0  0.12  1.0
  Pt  Pt3  1  0.0  0.0  0.0  1.0

data_HgMo2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.92
_cell_length_c   5.08
_cell_angle_alpha   99.95
_cell_angle_beta   106.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgMo2Pt
_chemical_formula_sum   'Hg1 Mo2 Pt1'
_cell_volume   67.42
_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  0.43  1.0
  Mo  Mo1  1  0.0  0.12  0.03  1.0
  Mo  Mo2  1  0.0  0.71  0.83  1.0
  Pt  Pt3  1  0.0  0.0  0.0  1.0

Hg Mo Mo Pt
Hg Mo Mo Pt 0 3 o o o 0 2 o o o 0 1 o o o 1 3 + o + 2 3 o o o 