data_CoHgOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.42
_cell_length_b   7.17
_cell_length_c   2.78
_cell_angle_alpha   84.24
_cell_angle_beta   73.87
_cell_angle_gamma   21.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoHgOs
_chemical_formula_sum   'Co1 Hg1 Os1'
_cell_volume   47.58
_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
  Co  Co0  1  0.41  0.39  0.92  1.0
  Hg  Hg1  1  0.41  0.39  0.28  1.0
  Os  Os2  1  0.41  0.39  0.9  1.0

data_CoHgOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.83
_cell_length_b   14.05
_cell_length_c   2.78
_cell_angle_alpha   90.0
_cell_angle_beta   120.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CoHgOs
_chemical_formula_sum   'Co2 Hg2 Os2'
_cell_volume   95.16
_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
  Co  Co0  2  0.41  0.0  0.33  1.0
  Hg  Hg1  2  0.41  0.0  0.69  1.0
  Os  Os2  2  0.41  0.0  0.32  1.0

Co Hg Os
Co Hg Os 0 2 o o o 0 1 o o + 1 2 o o - 