data_PtPb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   10.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PtPb3
_chemical_formula_sum   'Pt4 Pb12'
_cell_volume   414.35
_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
  Pt  Pt12  1  0.0  0.0  0.0  1.0
  Pt  Pt13  1  0.0  0.0  0.3  1.0
  Pt  Pt14  1  0.0  0.88  0.65  1.0
  Pt  Pt15  1  0.36  0.94  0.96  1.0
  Pb  Pb0  1  0.32  0.91  0.0  1.0
  Pb  Pb1  1  0.32  0.91  0.3  1.0
  Pb  Pb2  1  0.0  0.84  0.96  1.0
  Pb  Pb3  1  0.24  0.9  0.96  1.0
  Pb  Pb4  1  0.59  0.92  0.65  1.0
  Pb  Pb5  1  0.36  0.0  0.0  1.0
  Pb  Pb6  1  0.36  0.0  0.3  1.0
  Pb  Pb7  1  0.68  0.91  0.0  1.0
  Pb  Pb8  1  0.68  0.91  0.3  1.0
  Pb  Pb9  1  0.76  0.9  0.96  1.0
  Pb  Pb10  1  0.12  0.92  0.65  1.0
  Pb  Pb11  1  0.36  0.98  0.65  1.0

data_PtPb3
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   10.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PtPb3
_chemical_formula_sum   'Pt4 Pb12'
_cell_volume   414.35
_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
  Pt  Pt0  1  -0.0  0.88  0.65  1.0
  Pt  Pt1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.0  0.0  0.3  1.0
  Pt  Pt3  1  0.36  0.94  0.96  1.0
  Pb  Pb4  1  -0.0  0.84  0.96  1.0
  Pb  Pb5  1  0.12  0.92  0.65  1.0
  Pb  Pb6  1  0.24  0.9  0.96  1.0
  Pb  Pb7  1  0.32  0.91  0.0  1.0
  Pb  Pb8  1  0.32  0.91  0.3  1.0
  Pb  Pb9  1  0.36  0.98  0.65  1.0
  Pb  Pb10  1  0.36  0.0  0.0  1.0
  Pb  Pb11  1  0.36  0.0  0.3  1.0
  Pb  Pb12  1  0.59  0.92  0.65  1.0
  Pb  Pb13  1  0.68  0.91  0.0  1.0
  Pb  Pb14  1  0.68  0.91  0.3  1.0
  Pb  Pb15  1  0.76  0.9  0.96  1.0

Pt Pt Pt Pt Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb