data_Pt3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   2.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pt3C
_chemical_formula_sum   'Pt3 C1'
_cell_volume   57.35
_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
  Pt  Pt1  1  0.34  0.82  0.47  1.0
  Pt  Pt2  1  0.34  0.18  0.47  1.0
  Pt  Pt3  1  0.67  0.0  0.0  1.0
  C  C0  1  0.0  0.0  0.0  1.0

data_Pt3C
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.51
_cell_length_c   4.51
_cell_angle_alpha   107.37
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pt3C
_chemical_formula_sum   'Pt3 C1'
_cell_volume   57.35
_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
  Pt  Pt0  1  0.0  0.67  0.0  1.0
  Pt  Pt1  1  0.47  0.34  0.18  1.0
  Pt  Pt2  1  0.47  0.34  0.82  1.0
  C  C3  1  0.0  0.0  0.0  1.0

Pt Pt Pt C
Pt Pt Pt C 0 1 o + o 2 3 + o o 