data_YZnHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   121.04
_cell_angle_beta   121.04
_cell_angle_gamma   88.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZnHg2
_chemical_formula_sum   'Y1 Zn1 Hg2'
_cell_volume   88.29
_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  0.0  0.0  0.61  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.47  0.0  0.8  1.0
  Hg  Hg1  1  0.0  0.47  0.8  1.0

data_YZnHg2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.99
_cell_length_b   6.99
_cell_length_c   5.03
_cell_angle_alpha   90.0
_cell_angle_beta   134.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YZnHg2
_chemical_formula_sum   'Y2 Zn2 Hg4'
_cell_volume   176.58
_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  0.39  0.0  0.39  1.0
  Zn  Zn1  2  0.0  0.0  0.0  1.0
  Hg  Hg2  4  0.43  0.24  0.67  1.0

Y Zn Hg Hg