data_YHgSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.65
_cell_length_c   4.0
_cell_angle_alpha   70.57
_cell_angle_beta   68.32
_cell_angle_gamma   41.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHgSb
_chemical_formula_sum   'Y1 Hg1 Sb1'
_cell_volume   79.0
_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  0.74  0.91  0.3  1.0
  Hg  Hg0  1  0.74  0.91  0.04  1.0
  Sb  Sb1  1  0.74  0.91  0.55  1.0

data_YHgSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.49
_cell_length_b   9.89
_cell_length_c   4.0
_cell_angle_alpha   90.0
_cell_angle_beta   133.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YHgSb
_chemical_formula_sum   'Y2 Hg2 Sb2'
_cell_volume   158.0
_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  0.24  0.5  0.05  1.0
  Hg  Hg1  2  0.24  0.5  0.79  1.0
  Sb  Sb2  2  0.24  0.5  0.29  1.0

Y Hg Sb