data_Pt3C4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.16
_cell_length_b   7.16
_cell_length_c   7.16
_cell_angle_alpha   151.59
_cell_angle_beta   151.59
_cell_angle_gamma   40.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pt3C4
_chemical_formula_sum   'Pt3 C4'
_cell_volume   82.9
_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  Pt4  1  0.0  0.0  0.0  1.0
  Pt  Pt5  1  0.0  0.0  0.4  1.0
  Pt  Pt6  1  0.0  0.0  0.02  1.0
  C  C0  1  0.0  0.0  0.38  1.0
  C  C1  1  0.0  0.0  0.05  1.0
  C  C2  1  0.0  0.0  0.36  1.0
  C  C3  1  0.0  0.0  0.07  1.0

data_Pt3C4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   7.16
_cell_angle_alpha   90.0
_cell_angle_beta   110.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Pt3C4
_chemical_formula_sum   'Pt6 C8'
_cell_volume   165.8
_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  0.0  1.0
  Pt  Pt1  2  0.0  0.0  0.6  1.0
  Pt  Pt2  2  0.0  0.0  0.98  1.0
  C  C3  2  0.0  0.0  0.62  1.0
  C  C4  2  0.0  0.0  0.64  1.0
  C  C5  2  0.0  0.0  0.93  1.0
  C  C6  2  0.0  0.0  0.95  1.0

Pt Pt Pt C C C C
Pt Pt Pt C C C C 0 2 o o o 1 3 o o o 2 4 o o o 3 5 o o o 4 6 o o o 