data_Co2AgHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   3.96
_cell_length_c   5.58
_cell_angle_alpha   90.0
_cell_angle_beta   91.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2AgHg
_chemical_formula_sum   'Co2 Ag1 Hg1'
_cell_volume   62.28
_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  Co1  1  0.4  0.98  0.23  1.0
  Co  Co2  1  0.3  0.98  0.34  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.94  0.0  0.79  1.0

data_Co2AgHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   3.96
_cell_length_c   5.58
_cell_angle_alpha   90.0
_cell_angle_beta   91.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2AgHg
_chemical_formula_sum   'Co2 Ag1 Hg1'
_cell_volume   62.28
_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  0.3  0.98  0.34  1.0
  Co  Co1  1  0.4  0.98  0.23  1.0
  Ag  Ag2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.94  0.0  0.79  1.0

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