data_Ni2HgIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52
_cell_length_b   3.87
_cell_length_c   4.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2HgIr
_chemical_formula_sum   'Ni2 Hg1 Ir1'
_cell_volume   57.57
_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
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Ni  Ni3  1  0.0  0.93  0.12  1.0
  Hg  Hg0  1  0.76  0.93  0.0  1.0
  Ir  Ir1  1  0.76  0.0  0.12  1.0

data_Ni2HgIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   3.87
_cell_length_c   4.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2HgIr
_chemical_formula_sum   'Ni2 Hg1 Ir1'
_cell_volume   57.57
_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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.93  0.12  1.0
  Hg  Hg2  1  0.76  0.93  0.0  1.0
  Ir  Ir3  1  0.76  0.0  0.12  1.0

Ni Ni Hg Ir
Ni Ni Hg Ir 0 1 o - o 2 3 o + o 