data_B3Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.12
_cell_length_b   4.12
_cell_length_c   16.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B3Pt
_chemical_formula_sum   'B12 Pt4'
_cell_volume   243.48
_cell_formula_units_Z   4
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
  B  B0  1  0.97  0.78  0.27  1.0
  B  B1  1  0.97  0.78  0.0  1.0
  B  B2  1  0.03  0.78  0.27  1.0
  B  B3  1  0.06  0.0  0.27  1.0
  B  B4  1  0.06  0.0  0.0  1.0
  B  B5  1  0.03  0.78  0.0  1.0
  B  B6  1  0.86  0.87  0.41  1.0
  B  B7  1  0.2  0.69  0.14  1.0
  B  B8  1  0.14  0.87  0.41  1.0
  B  B9  1  0.0  0.39  0.41  1.0
  B  B10  1  0.06  0.18  0.14  1.0
  B  B11  1  0.92  0.69  0.14  1.0
  Pt  Pt12  1  0.0  0.0  0.27  1.0
  Pt  Pt13  1  0.0  0.0  0.0  1.0
  Pt  Pt14  1  0.06  0.19  0.41  1.0
  Pt  Pt15  1  0.0  0.38  0.14  1.0

data_B3Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.12
_cell_length_b   4.12
_cell_length_c   16.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B3Pt
_chemical_formula_sum   'B12 Pt4'
_cell_volume   243.48
_cell_formula_units_Z   4
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
  B  B0  1  0.0  0.39  0.41  1.0
  B  B1  1  0.03  0.78  -0.0  1.0
  B  B2  1  0.03  0.78  0.27  1.0
  B  B3  1  0.06  0.0  0.0  1.0
  B  B4  1  0.06  0.0  0.27  1.0
  B  B5  1  0.06  0.18  0.14  1.0
  B  B6  1  0.14  0.87  0.41  1.0
  B  B7  1  0.2  0.69  0.14  1.0
  B  B8  1  0.86  0.87  0.41  1.0
  B  B9  1  0.92  0.69  0.14  1.0
  B  B10  1  0.97  0.78  0.0  1.0
  B  B11  1  0.97  0.78  0.27  1.0
  Pt  Pt12  1  0.0  0.0  0.0  1.0
  Pt  Pt13  1  0.0  0.0  0.27  1.0
  Pt  Pt14  1  0.0  0.38  0.14  1.0
  Pt  Pt15  1  0.06  0.19  0.41  1.0

B B B B B B B B B B B B Pt Pt Pt Pt
B B B B B B B B B B B B Pt Pt Pt Pt 0 2 + o o 1 5 + o o 3 12 o o o 4 13 o o o 6 14 + + o 6 8 + o o 7 15 o o o 7 11 - o o 9 14 o o o 10 15 o o o 