data_YHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06
_cell_length_b   6.06
_cell_length_c   8.12
_cell_angle_alpha   109.18
_cell_angle_beta   109.18
_cell_angle_gamma   35.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHg
_chemical_formula_sum   'Y3 Hg3'
_cell_volume   161.0
_cell_formula_units_Z   3
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  0.85  0.0  0.68  1.0
  Y  Y4  1  0.52  0.0  0.49  1.0
  Y  Y5  1  0.89  0.0  0.2  1.0
  Hg  Hg0  1  0.33  0.0  0.03  1.0
  Hg  Hg1  1  0.82  0.0  0.02  1.0
  Hg  Hg2  1  0.7  0.0  0.19  1.0

data_YHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   6.06
_cell_length_c   8.12
_cell_angle_alpha   109.18
_cell_angle_beta   90.0
_cell_angle_gamma   107.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHg
_chemical_formula_sum   'Y3 Hg3'
_cell_volume   161.0
_cell_formula_units_Z   3
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  0.0  0.11  0.8  1.0
  Y  Y1  1  0.0  0.15  0.32  1.0
  Y  Y2  1  0.0  0.48  0.51  1.0
  Hg  Hg3  1  0.0  0.18  0.98  1.0
  Hg  Hg4  1  0.0  0.3  0.81  1.0
  Hg  Hg5  1  0.0  0.67  0.97  1.0

Y Y Y Hg Hg Hg
Y Y Y Hg Hg Hg 0 1 o o o 2 5 o o o 2 4 o o o 3 5 o o o 