data_Pt3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   145.52
_cell_angle_beta   119.35
_cell_angle_gamma   71.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pt3C
_chemical_formula_sum   'Pt3 C1'
_cell_volume   56.28
_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  0.0  0.46  0.5  1.0
  Pt  Pt2  1  0.0  0.0  0.95  1.0
  Pt  Pt3  1  0.45  0.0  0.45  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   2.89
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   60.65
_cell_angle_beta   72.76
_cell_angle_gamma   72.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pt3C
_chemical_formula_sum   'Pt3 C1'
_cell_volume   56.28
_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  -0.0  0.95  1.0
  Pt  Pt1  1  0.0  0.55  0.45  1.0
  Pt  Pt2  1  0.46  -0.0  0.04  1.0
  C  C3  1  0.0  0.0  0.0  1.0

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