data_NiHgPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   4.46
_cell_length_c   5.16
_cell_angle_alpha   90.0
_cell_angle_beta   96.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiHgPt2
_chemical_formula_sum   'Ni1 Hg1 Pt2'
_cell_volume   64.23
_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  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.1  0.0  0.56  1.0
  Pt  Pt2  1  0.05  0.23  0.17  1.0
  Pt  Pt3  1  0.16  0.23  0.95  1.0

data_NiHgPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.46
_cell_length_c   5.16
_cell_angle_alpha   90.0
_cell_angle_beta   96.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiHgPt2
_chemical_formula_sum   'Ni1 Hg1 Pt2'
_cell_volume   64.23
_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
  Hg  Hg1  1  0.1  0.0  0.56  1.0
  Pt  Pt2  1  0.05  0.23  0.17  1.0
  Pt  Pt3  1  0.16  0.23  0.95  1.0

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