data_B8Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   94.51
_cell_angle_beta   94.51
_cell_angle_gamma   147.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B8Pt
_chemical_formula_sum   'B8 Pt1'
_cell_volume   73.53
_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
  B  B0  1  0.56  0.44  0.46  1.0
  B  B1  1  0.44  0.56  0.46  1.0
  B  B2  1  0.66  0.0  0.0  1.0
  B  B3  1  0.56  0.56  0.46  1.0
  B  B4  1  0.0  0.66  0.0  1.0
  B  B5  1  0.99  0.99  0.0  1.0
  B  B6  1  0.42  0.0  0.0  1.0
  B  B7  1  0.0  0.42  0.0  1.0
  Pt  Pt8  1  0.0  0.0  0.0  1.0

data_B8Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.93
_cell_length_b   10.02
_cell_length_c   5.22
_cell_angle_alpha   90.0
_cell_angle_beta   106.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   B8Pt
_chemical_formula_sum   'B16 Pt2'
_cell_volume   147.06
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.17  0.83  0.0  1.0
  B  B1  4  0.29  0.71  0.0  1.0
  B  B2  4  0.46  0.44  0.46  1.0
  B  B3  2  0.01  0.0  0.0  1.0
  B  B4  2  0.41  0.5  0.46  1.0
  Pt  Pt5  2  0.0  0.0  0.0  1.0

B B B B B B B B Pt
B B B B B B B B Pt 0 3 o o o 1 3 o o o 2 7 + o o 2 6 o o o 4 7 o o o 4 6 o + o 5 8 + + o 