data_YSiHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.02
_cell_length_c   3.55
_cell_angle_alpha   76.79
_cell_angle_beta   69.67
_cell_angle_gamma   33.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSiHg
_chemical_formula_sum   'Y1 Si1 Hg1'
_cell_volume   68.81
_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  Y2  1  0.21  0.78  0.63  1.0
  Si  Si1  1  0.21  0.78  0.39  1.0
  Hg  Hg0  1  0.21  0.78  0.19  1.0

data_YSiHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.42
_cell_length_b   11.21
_cell_length_c   3.55
_cell_angle_alpha   90.0
_cell_angle_beta   128.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YSiHg
_chemical_formula_sum   'Y2 Si2 Hg2'
_cell_volume   137.63
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.21  0.0  0.84  1.0
  Si  Si1  2  0.21  0.0  0.6  1.0
  Hg  Hg2  2  0.21  0.0  0.4  1.0

Y Si Hg