data_HgOs2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   5.74
_cell_angle_alpha   152.04
_cell_angle_beta   129.76
_cell_angle_gamma   58.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgOs2Au
_chemical_formula_sum   'Hg1 Os2 Au1'
_cell_volume   67.68
_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  0.01  1.0
  Os  Os2  1  0.39  0.0  0.43  1.0
  Os  Os3  1  0.0  0.44  0.58  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0

data_HgOs2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   11.14
_cell_length_b   2.77
_cell_length_c   4.87
_cell_angle_alpha   90.0
_cell_angle_beta   115.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HgOs2Au
_chemical_formula_sum   'Hg2 Os4 Au2'
_cell_volume   135.35
_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  0.49  0.5  0.99  1.0
  Os  Os1  2  0.42  0.0  0.85  1.0
  Os  Os2  2  0.48  0.5  0.57  1.0
  Au  Au3  2  0.5  0.5  0.0  1.0

Hg Os Os Au