data_Cr3Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   12.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3Pt
_chemical_formula_sum   'Cr18 Pt6'
_cell_volume   305.15
_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  0.81  0.36  0.5  1.0
  Cr  Cr1  1  0.83  0.21  0.17  1.0
  Cr  Cr2  1  0.0  0.51  0.63  1.0
  Cr  Cr3  1  0.0  0.51  0.36  1.0
  Cr  Cr4  1  0.67  0.81  0.63  1.0
  Cr  Cr5  1  0.67  0.81  0.36  1.0
  Cr  Cr6  1  0.31  0.76  0.03  1.0
  Cr  Cr7  1  0.31  0.76  0.3  1.0
  Cr  Cr8  1  0.0  0.42  0.5  1.0
  Cr  Cr9  1  0.64  0.14  0.17  1.0
  Cr  Cr10  1  0.19  0.36  0.5  1.0
  Cr  Cr11  1  0.44  0.21  0.17  1.0
  Cr  Cr12  1  0.33  0.81  0.63  1.0
  Cr  Cr13  1  0.33  0.81  0.36  1.0
  Cr  Cr14  1  0.96  0.76  0.03  1.0
  Cr  Cr15  1  0.96  0.76  0.3  1.0
  Cr  Cr16  1  0.64  0.05  0.03  1.0
  Cr  Cr17  1  0.64  0.05  0.3  1.0
  Pt  Pt18  1  0.0  0.0  0.5  1.0
  Pt  Pt19  1  0.0  0.0  0.17  1.0
  Pt  Pt20  1  0.0  0.05  0.1  1.0
  Pt  Pt21  1  0.0  0.05  0.23  1.0
  Pt  Pt22  1  0.64  0.52  0.56  1.0
  Pt  Pt23  1  0.64  0.52  0.43  1.0

data_Cr3Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   12.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3Pt
_chemical_formula_sum   'Cr18 Pt6'
_cell_volume   305.15
_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  0.42  0.5  1.0
  Cr  Cr1  1  -0.0  0.51  0.36  1.0
  Cr  Cr2  1  -0.0  0.51  0.63  1.0
  Cr  Cr3  1  0.19  0.36  0.5  1.0
  Cr  Cr4  1  0.31  0.76  0.03  1.0
  Cr  Cr5  1  0.31  0.76  0.3  1.0
  Cr  Cr6  1  0.33  0.81  0.36  1.0
  Cr  Cr7  1  0.33  0.81  0.63  1.0
  Cr  Cr8  1  0.44  0.21  0.17  1.0
  Cr  Cr9  1  0.64  0.05  0.03  1.0
  Cr  Cr10  1  0.64  0.05  0.3  1.0
  Cr  Cr11  1  0.64  0.14  0.17  1.0
  Cr  Cr12  1  0.67  0.81  0.36  1.0
  Cr  Cr13  1  0.67  0.81  0.63  1.0
  Cr  Cr14  1  0.81  0.36  0.5  1.0
  Cr  Cr15  1  0.83  0.21  0.17  1.0
  Cr  Cr16  1  0.96  0.76  0.03  1.0
  Cr  Cr17  1  0.96  0.76  0.3  1.0
  Pt  Pt18  1  -0.0  0.05  0.1  1.0
  Pt  Pt19  1  -0.0  0.05  0.23  1.0
  Pt  Pt20  1  0.0  0.0  0.17  1.0
  Pt  Pt21  1  0.0  0.0  0.5  1.0
  Pt  Pt22  1  0.64  0.52  0.43  1.0
  Pt  Pt23  1  0.64  0.52  0.56  1.0

Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Pt Pt Pt Pt Pt Pt
Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Pt Pt Pt Pt Pt Pt 0 8 + o o 0 2 + o o 0 3 + o o 0 22 o o o 0 23 o o o 1 9 o o o 1 16 o o o 1 17 o o o 2 8 o o o 2 12 o o o 3 15 - o o 3 8 o o o 3 7 o o o 3 13 o o o 4 12 o o o 4 22 o o o 5 7 o o o 5 17 o + o 5 13 o o o 5 15 o o o 5 23 o o o 6 14 - o o 6 16 o + o 7 13 o o o 7 15 - o o 7 17 o + o 8 10 o o o 9 11 o o o 9 16 o o o 9 17 o o o 10 18 o o o 13 15 - o o 13 17 o + o 14 20 + + o 15 21 + + o 19 20 o o o 19 21 o o o 22 23 o o o 