data_YCoHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   130.2
_cell_angle_beta   130.2
_cell_angle_gamma   73.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCoHg2
_chemical_formula_sum   'Y1 Co1 Hg2'
_cell_volume   81.82
_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
  Y  Y3  1  0.0  0.2  0.1  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.2  0.0  0.1  1.0
  Hg  Hg2  1  0.0  0.0  0.21  1.0

data_YCoHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   5.24
_cell_angle_alpha   114.9
_cell_angle_beta   114.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCoHg2
_chemical_formula_sum   'Y1 Co1 Hg2'
_cell_volume   81.82
_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
  Y  Y0  1  0.1  0.2  0.1  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.79  0.0  0.79  1.0
  Hg  Hg3  1  0.9  0.0  0.1  1.0

Y Co Hg Hg