data_Y2HgGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.5
_cell_length_b   7.5
_cell_length_c   7.5
_cell_angle_alpha   32.96
_cell_angle_beta   32.96
_cell_angle_gamma   32.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2HgGe
_chemical_formula_sum   'Y2 Hg1 Ge1'
_cell_volume   111.31
_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
  Y  Y3  1  0.0  0.0  0.66  1.0
  Hg  Hg1  1  0.0  0.0  0.64  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_Y2HgGe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.37
_cell_length_b   4.26
_cell_length_c   7.5
_cell_angle_alpha   90.0
_cell_angle_beta   109.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y2HgGe
_chemical_formula_sum   'Y4 Hg2 Ge2'
_cell_volume   222.62
_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  0.0  0.0  0.34  1.0
  Y  Y1  2  0.0  0.0  0.39  1.0
  Hg  Hg2  2  0.0  0.0  0.36  1.0
  Ge  Ge3  2  0.0  0.0  0.0  1.0

Y Y Hg Ge