data_HgMoOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   146.83
_cell_angle_beta   135.81
_cell_angle_gamma   56.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgMoOs
_chemical_formula_sum   'Hg1 Mo1 Os1'
_cell_volume   50.73
_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  0.0  0.0  1.0
  Mo  Mo1  1  0.0  0.0  0.85  1.0
  Os  Os2  1  0.0  0.0  0.17  1.0

data_HgMoOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   3.85
_cell_length_c   5.12
_cell_angle_alpha   112.1
_cell_angle_beta   106.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgMoOs
_chemical_formula_sum   'Hg1 Mo1 Os1'
_cell_volume   50.73
_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  1.0  1.0  1.0  1.0
  Mo  Mo1  1  0.15  0.15  0.15  1.0
  Os  Os2  1  0.83  0.83  0.83  1.0

Hg Mo Os