data_HgMoOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27
_cell_length_b   6.27
_cell_length_c   6.27
_cell_angle_alpha   152.65
_cell_angle_beta   152.65
_cell_angle_gamma   39.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgMoOs
_chemical_formula_sum   'Hg1 Mo1 Os1'
_cell_volume   52.04
_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  0.01  1.0
  Mo  Mo1  1  0.0  0.0  0.7  1.0
  Os  Os2  1  0.0  0.0  0.12  1.0

data_HgMoOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   6.27
_cell_angle_alpha   90.0
_cell_angle_beta   109.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HgMoOs
_chemical_formula_sum   'Hg2 Mo2 Os2'
_cell_volume   104.07
_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  0.99  1.0
  Mo  Mo1  2  0.0  0.0  0.3  1.0
  Os  Os2  2  0.0  0.0  0.88  1.0

Hg Mo Os
Hg Mo Os 0 2 o o o 0 1 o o - 