data_Si2BPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.74
_cell_length_b   3.17
_cell_length_c   4.73
_cell_angle_alpha   90.0
_cell_angle_beta   112.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2BPt
_chemical_formula_sum   'Si2 B1 Pt1'
_cell_volume   51.68
_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
  Si  Si2  1  0.99  0.58  0.94  1.0
  Si  Si3  1  0.94  0.58  0.42  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.09  0.0  0.18  1.0

data_Si2BPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   3.74
_cell_length_c   4.73
_cell_angle_alpha   112.58
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2BPt
_chemical_formula_sum   'Si2 B1 Pt1'
_cell_volume   51.68
_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
  Si  Si0  1  0.42  0.01  0.06  1.0
  Si  Si1  1  0.42  0.06  0.58  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.91  0.82  1.0

Si Si B Pt
Si Si B Pt 0 2 + + + 0 1 o o + 0 1 o o o 1 3 + o o 1 3 + + o 1 2 + + o 2 3 o o o 