data_HgBPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21
_cell_length_b   6.21
_cell_length_c   6.21
_cell_angle_alpha   154.39
_cell_angle_beta   148.98
_cell_angle_gamma   40.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgBPt
_chemical_formula_sum   'Hg1 B1 Pt1'
_cell_volume   53.38
_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  0.0  0.0  0.9  1.0
  B  B0  1  0.0  0.0  0.46  1.0
  Pt  Pt2  1  0.0  0.0  0.94  1.0

data_HgBPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   3.32
_cell_length_c   6.21
_cell_angle_alpha   105.51
_cell_angle_beta   102.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgBPt
_chemical_formula_sum   'Hg1 B1 Pt1'
_cell_volume   53.38
_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  0.1  0.1  0.1  1.0
  B  B1  1  0.54  0.54  0.54  1.0
  Pt  Pt2  1  0.06  0.06  0.06  1.0

Hg B Pt