data_SbPt5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   6.58
_cell_angle_alpha   106.75
_cell_angle_beta   106.75
_cell_angle_gamma   32.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbPt5
_chemical_formula_sum   'Sb1 Pt5'
_cell_volume   100.25
_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
  Sb  Sb5  1  0.85  0.0  0.46  1.0
  Pt  Pt0  1  0.4  0.0  0.17  1.0
  Pt  Pt1  1  0.11  0.0  0.03  1.0
  Pt  Pt2  1  0.26  0.0  0.01  1.0
  Pt  Pt3  1  0.06  0.0  0.66  1.0
  Pt  Pt4  1  0.14  0.0  0.56  1.0

data_SbPt5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   5.45
_cell_length_c   6.58
_cell_angle_alpha   106.75
_cell_angle_beta   90.0
_cell_angle_gamma   106.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbPt5
_chemical_formula_sum   'Sb1 Pt5'
_cell_volume   100.25
_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
  Sb  Sb0  1  0.0  0.15  0.54  1.0
  Pt  Pt1  1  0.0  0.6  0.83  1.0
  Pt  Pt2  1  0.0  0.74  0.99  1.0
  Pt  Pt3  1  0.0  0.86  0.44  1.0
  Pt  Pt4  1  0.0  0.89  0.97  1.0
  Pt  Pt5  1  0.0  0.94  0.34  1.0

Sb Pt Pt Pt Pt Pt
Sb Pt Pt Pt Pt Pt 0 5 + o o 0 4 + o o 1 3 o o o 2 3 o o o 4 5 o o o 