data_Ni2HgPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   3.6
_cell_length_c   5.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2HgPt
_chemical_formula_sum   'Ni2 Hg1 Pt1'
_cell_volume   58.51
_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  Ni1  1  0.4  0.8  0.5  1.0
  Ni  Ni2  1  0.4  0.8  0.29  1.0
  Hg  Hg0  1  0.0  0.0  0.9  1.0
  Pt  Pt3  1  0.0  0.0  0.0  1.0

data_Ni2HgPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   3.6
_cell_length_c   5.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2HgPt
_chemical_formula_sum   'Ni2 Hg1 Pt1'
_cell_volume   58.51
_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  0.4  0.8  0.29  1.0
  Ni  Ni1  1  0.4  0.8  0.5  1.0
  Hg  Hg2  1  0.0  0.0  0.9  1.0
  Pt  Pt3  1  0.0  0.0  0.0  1.0

Ni Ni Hg Pt
Ni Ni Hg Pt 0 1 o o o 2 3 o o + 