data_Hg2BPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   3.39
_cell_length_c   5.07
_cell_angle_alpha   90.0
_cell_angle_beta   114.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2BPt
_chemical_formula_sum   'Hg2 B1 Pt1'
_cell_volume   75.14
_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
  Hg  Hg1  1  0.55  0.69  0.38  1.0
  Hg  Hg2  1  0.93  0.0  0.35  1.0
  B  B0  1  0.14  0.0  0.06  1.0
  Pt  Pt3  1  0.25  0.69  0.14  1.0

data_Hg2BPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   4.8
_cell_length_c   5.07
_cell_angle_alpha   114.41
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2BPt
_chemical_formula_sum   'Hg2 B1 Pt1'
_cell_volume   75.14
_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
  Hg  Hg0  1  0.0  0.07  0.65  1.0
  Hg  Hg1  1  0.31  0.45  0.62  1.0
  B  B2  1  0.0  0.86  0.94  1.0
  Pt  Pt3  1  0.31  0.75  0.86  1.0

Hg Hg B Pt
Hg Hg B Pt 0 3 o o o 0 1 o + o 1 3 + - o 1 2 + o o 2 3 o - o 