data_Pt3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77
_cell_length_b   2.77
_cell_length_c   6.98
_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   'Pt3 C1'
_cell_volume   53.51
_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  0.38  0.38  0.6  1.0
  Pt  Pt2  1  0.0  0.0  0.49  1.0
  Pt  Pt3  1  0.38  0.38  0.39  1.0
  C  C0  1  0.0  0.0  0.0  1.0

data_Pt3C
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.91
_cell_length_b   3.91
_cell_length_c   6.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Pt3C
_chemical_formula_sum   'Pt6 C2'
_cell_volume   107.02
_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
  Pt  Pt0  2  0.0  0.0  0.49  1.0
  Pt  Pt1  2  0.38  0.0  0.39  1.0
  Pt  Pt2  2  0.38  0.0  0.6  1.0
  C  C3  2  0.0  0.0  0.0  1.0

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