data_Y2MgHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   6.0
_cell_angle_alpha   135.24
_cell_angle_beta   135.24
_cell_angle_gamma   65.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2MgHg
_chemical_formula_sum   'Y2 Mg1 Hg1'
_cell_volume   105.43
_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  0.28  0.0  0.53  1.0
  Y  Y3  1  0.0  0.0  0.05  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.0  0.28  0.53  1.0

data_Y2MgHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   6.0
_cell_angle_alpha   112.38
_cell_angle_beta   112.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2MgHg
_chemical_formula_sum   'Y2 Mg1 Hg1'
_cell_volume   105.43
_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  Y0  1  0.47  0.0  0.76  1.0
  Y  Y1  1  0.95  0.0  0.95  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.76  0.28  0.76  1.0

Y Y Mg Hg