data_Y2HgIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   5.71
_cell_angle_alpha   135.7
_cell_angle_beta   135.7
_cell_angle_gamma   64.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2HgIr
_chemical_formula_sum   'Y2 Hg1 Ir1'
_cell_volume   89.53
_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  0.15  0.42  1.0
  Y  Y3  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.15  0.0  0.42  1.0
  Ir  Ir1  1  0.0  0.0  0.83  1.0

data_Y2HgIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.31
_cell_length_b   4.31
_cell_length_c   5.71
_cell_angle_alpha   112.15
_cell_angle_beta   112.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2HgIr
_chemical_formula_sum   'Y2 Hg1 Ir1'
_cell_volume   89.53
_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  0.0  0.0  0.0  1.0
  Y  Y1  1  0.26  0.42  0.26  1.0
  Hg  Hg2  1  0.42  0.26  0.26  1.0
  Ir  Ir3  1  0.83  0.83  0.83  1.0

Y Y Hg Ir