data_Co2HgOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.73
_cell_angle_alpha   101.34
_cell_angle_beta   101.34
_cell_angle_gamma   34.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2HgOs
_chemical_formula_sum   'Co2 Hg1 Os1'
_cell_volume   56.39
_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  0.08  0.0  0.54  1.0
  Co  Co1  1  0.33  0.0  0.08  1.0
  Hg  Hg2  1  0.95  0.0  0.2  1.0
  Os  Os3  1  0.56  0.0  0.74  1.0

data_Co2HgOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.66
_cell_length_c   4.73
_cell_angle_alpha   101.34
_cell_angle_beta   90.0
_cell_angle_gamma   107.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2HgOs
_chemical_formula_sum   'Co2 Hg1 Os1'
_cell_volume   56.39
_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  0.0  0.67  0.92  1.0
  Co  Co1  1  0.0  0.92  0.46  1.0
  Hg  Hg2  1  0.0  0.05  0.8  1.0
  Os  Os3  1  0.0  0.44  0.26  1.0

Co Co Hg Os
Co Co Hg Os 0 2 - o o 0 3 o o o 1 2 - o o 1 3 o o - 2 3 o o - 