data_Y2HgSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   127.06
_cell_angle_beta   127.06
_cell_angle_gamma   78.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2HgSb
_chemical_formula_sum   'Y2 Hg1 Sb1'
_cell_volume   105.22
_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  0.47  0.0  0.15  1.0
  Y  Y3  1  0.0  0.47  0.15  1.0
  Hg  Hg0  1  0.0  0.0  0.31  1.0
  Sb  Sb1  1  0.0  0.0  0.0  1.0

data_Y2HgSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.99
_cell_length_b   6.99
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   129.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y2HgSb
_chemical_formula_sum   'Y4 Hg2 Sb2'
_cell_volume   210.44
_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  4  0.08  0.24  0.32  1.0
  Hg  Hg1  2  0.19  0.5  0.69  1.0
  Sb  Sb2  2  0.0  0.0  0.0  1.0

Y Y Hg Sb