data_CoHg2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   4.51
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   102.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoHg2Mo
_chemical_formula_sum   'Co1 Hg2 Mo1'
_cell_volume   68.8
_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  0.0  0.0  1.0
  Hg  Hg1  1  0.11  0.25  0.28  1.0
  Hg  Hg2  1  0.53  0.25  0.06  1.0
  Mo  Mo3  1  0.82  0.0  0.67  1.0

data_CoHg2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   4.51
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   102.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoHg2Mo
_chemical_formula_sum   'Co1 Hg2 Mo1'
_cell_volume   68.8
_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  0.0  0.0  1.0
  Hg  Hg1  1  0.11  0.25  0.28  1.0
  Hg  Hg2  1  0.53  0.25  0.06  1.0
  Mo  Mo3  1  0.82  0.0  0.67  1.0

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