data_Pt3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   8.96
_cell_length_c   4.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pt3C
_chemical_formula_sum   'Pt12 C4'
_cell_volume   232.17
_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  Pt4  1  0.34  0.72  0.77  1.0
  Pt  Pt5  1  0.38  0.24  0.15  1.0
  Pt  Pt6  1  0.06  0.72  0.61  1.0
  Pt  Pt7  1  0.11  0.24  0.99  1.0
  Pt  Pt8  1  0.69  0.44  0.5  1.0
  Pt  Pt9  1  0.03  0.52  0.12  1.0
  Pt  Pt10  1  0.42  1.0  0.64  1.0
  Pt  Pt11  1  0.75  0.96  0.26  1.0
  Pt  Pt12  1  0.75  0.52  0.26  1.0
  Pt  Pt13  1  0.42  0.44  0.64  1.0
  Pt  Pt14  1  0.03  0.96  0.12  1.0
  Pt  Pt15  1  0.69  1.0  0.5  1.0
  C  C0  1  0.46  0.72  0.58  1.0
  C  C1  1  0.26  0.24  0.2  1.0
  C  C2  1  0.18  0.72  0.56  1.0
  C  C3  1  0.99  0.24  0.18  1.0

data_Pt3C
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.76
_cell_length_b   5.45
_cell_length_c   8.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Pt3C
_chemical_formula_sum   'Pt12 C4'
_cell_volume   232.17
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.12  0.47  0.52  1.0
  Pt  Pt1  2  0.12  0.47  0.96  1.0
  Pt  Pt2  2  0.23  0.84  0.24  1.0
  Pt  Pt3  2  0.26  0.19  0.96  1.0
  Pt  Pt4  2  0.26  0.19  0.52  1.0
  Pt  Pt5  2  0.39  0.12  0.24  1.0
  C  C6  2  0.18  0.96  0.24  1.0
  C  C7  2  0.2  0.24  0.24  1.0

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