data_CrPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   13.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrPt3
_chemical_formula_sum   'Cr6 Pt18'
_cell_volume   360.78
_cell_formula_units_Z   6
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
  Cr  Cr0  1  0.0  0.0  0.2  1.0
  Cr  Cr1  1  0.0  0.0  0.4  1.0
  Cr  Cr2  1  0.0  0.2  0.16  1.0
  Cr  Cr3  1  0.0  0.2  0.64  1.0
  Cr  Cr4  1  0.77  0.6  0.44  1.0
  Cr  Cr5  1  0.77  0.6  0.96  1.0
  Pt  Pt6  1  0.15  0.39  0.2  1.0
  Pt  Pt7  1  0.62  0.4  0.4  1.0
  Pt  Pt8  1  0.0  0.6  0.48  1.0
  Pt  Pt9  1  0.0  0.6  0.92  1.0
  Pt  Pt10  1  0.62  0.99  0.48  1.0
  Pt  Pt11  1  0.62  0.99  0.92  1.0
  Pt  Pt12  1  0.38  0.8  0.12  1.0
  Pt  Pt13  1  0.38  0.8  0.68  1.0
  Pt  Pt14  1  0.77  0.01  0.2  1.0
  Pt  Pt15  1  0.0  0.79  0.4  1.0
  Pt  Pt16  1  0.39  0.39  0.2  1.0
  Pt  Pt17  1  0.38  0.4  0.4  1.0
  Pt  Pt18  1  0.38  0.99  0.48  1.0
  Pt  Pt19  1  0.38  0.99  0.92  1.0
  Pt  Pt20  1  0.15  0.8  0.12  1.0
  Pt  Pt21  1  0.15  0.8  0.68  1.0
  Pt  Pt22  1  0.77  0.2  0.12  1.0
  Pt  Pt23  1  0.77  0.2  0.68  1.0

data_CrPt3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   13.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrPt3
_chemical_formula_sum   'Cr6 Pt18'
_cell_volume   360.78
_cell_formula_units_Z   6
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
  Cr  Cr0  1  0.0  0.0  0.2  1.0
  Cr  Cr1  1  0.0  0.0  0.4  1.0
  Cr  Cr2  1  0.0  0.2  0.16  1.0
  Cr  Cr3  1  0.0  0.2  0.64  1.0
  Cr  Cr4  1  0.77  0.6  0.44  1.0
  Cr  Cr5  1  0.77  0.6  0.96  1.0
  Pt  Pt6  1  0.0  0.6  0.48  1.0
  Pt  Pt7  1  0.0  0.6  0.92  1.0
  Pt  Pt8  1  0.0  0.79  0.4  1.0
  Pt  Pt9  1  0.15  0.39  0.2  1.0
  Pt  Pt10  1  0.15  0.8  0.12  1.0
  Pt  Pt11  1  0.15  0.8  0.68  1.0
  Pt  Pt12  1  0.38  0.4  0.4  1.0
  Pt  Pt13  1  0.38  0.99  0.48  1.0
  Pt  Pt14  1  0.38  0.99  0.92  1.0
  Pt  Pt15  1  0.38  0.8  0.12  1.0
  Pt  Pt16  1  0.38  0.8  0.68  1.0
  Pt  Pt17  1  0.39  0.39  0.2  1.0
  Pt  Pt18  1  0.62  0.99  0.48  1.0
  Pt  Pt19  1  0.62  0.99  0.92  1.0
  Pt  Pt20  1  0.62  0.4  0.4  1.0
  Pt  Pt21  1  0.77  0.01  0.2  1.0
  Pt  Pt22  1  0.77  0.2  0.12  1.0
  Pt  Pt23  1  0.77  0.2  0.68  1.0

Cr Cr Cr Cr Cr Cr Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt