data_HgMoAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85
_cell_length_b   6.85
_cell_length_c   6.85
_cell_angle_alpha   155.65
_cell_angle_beta   155.65
_cell_angle_gamma   34.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgMoAu
_chemical_formula_sum   'Hg1 Mo1 Au1'
_cell_volume   54.67
_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  Hg1  1  0.0  0.0  0.3  1.0
  Mo  Mo2  1  0.0  0.0  0.66  1.0
  Au  Au0  1  0.0  0.0  0.13  1.0

data_HgMoAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.09
_cell_length_b   4.09
_cell_length_c   6.85
_cell_angle_alpha   90.0
_cell_angle_beta   107.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HgMoAu
_chemical_formula_sum   'Hg2 Mo2 Au2'
_cell_volume   109.34
_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
  Hg  Hg0  2  0.0  0.0  0.7  1.0
  Mo  Mo1  2  0.0  0.0  0.34  1.0
  Au  Au2  2  0.0  0.0  0.87  1.0

Hg Mo Au