data_Mg3Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89
_cell_length_b   14.31
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Pt
_chemical_formula_sum   'Mg18 Pt6'
_cell_volume   428.62
_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
  Mg  Mg0  1  0.47  0.36  0.24  1.0
  Mg  Mg1  1  0.47  0.94  0.24  1.0
  Mg  Mg2  1  0.47  0.15  0.6  1.0
  Mg  Mg3  1  0.48  0.0  0.49  1.0
  Mg  Mg4  1  0.48  0.51  0.85  1.0
  Mg  Mg5  1  0.48  0.79  0.85  1.0
  Mg  Mg6  1  0.0  0.0  0.13  1.0
  Mg  Mg7  1  0.0  0.54  0.4  1.0
  Mg  Mg8  1  0.0  0.76  0.4  1.0
  Mg  Mg9  1  0.43  0.36  0.24  1.0
  Mg  Mg10  1  0.43  0.94  0.24  1.0
  Mg  Mg11  1  0.42  0.15  0.6  1.0
  Mg  Mg12  1  0.42  0.0  0.49  1.0
  Mg  Mg13  1  0.41  0.51  0.85  1.0
  Mg  Mg14  1  0.41  0.79  0.85  1.0
  Mg  Mg15  1  0.95  0.15  0.95  1.0
  Mg  Mg16  1  0.95  0.39  0.68  1.0
  Mg  Mg17  1  0.95  0.92  0.68  1.0
  Pt  Pt18  1  0.0  0.15  0.11  1.0
  Pt  Pt19  1  0.0  0.41  0.7  1.0
  Pt  Pt20  1  0.0  0.89  0.7  1.0
  Pt  Pt21  1  0.95  0.0  0.98  1.0
  Pt  Pt22  1  0.95  0.57  0.38  1.0
  Pt  Pt23  1  0.95  0.74  0.38  1.0

data_Mg3Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.08
_cell_length_b   5.89
_cell_length_c   14.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Pt
_chemical_formula_sum   'Mg18 Pt6'
_cell_volume   428.62
_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
  Mg  Mg0  1  0.13  0.0  0.0  1.0
  Mg  Mg1  1  0.24  0.43  0.36  1.0
  Mg  Mg2  1  0.24  0.43  0.94  1.0
  Mg  Mg3  1  0.24  0.47  0.36  1.0
  Mg  Mg4  1  0.24  0.47  0.94  1.0
  Mg  Mg5  1  0.4  0.0  0.54  1.0
  Mg  Mg6  1  0.4  0.0  0.76  1.0
  Mg  Mg7  1  0.49  0.42  0.0  1.0
  Mg  Mg8  1  0.49  0.48  0.0  1.0
  Mg  Mg9  1  0.6  0.42  0.15  1.0
  Mg  Mg10  1  0.6  0.47  0.15  1.0
  Mg  Mg11  1  0.68  0.95  0.39  1.0
  Mg  Mg12  1  0.68  0.95  0.92  1.0
  Mg  Mg13  1  0.85  0.41  0.51  1.0
  Mg  Mg14  1  0.85  0.41  0.79  1.0
  Mg  Mg15  1  0.85  0.48  0.51  1.0
  Mg  Mg16  1  0.85  0.48  0.79  1.0
  Mg  Mg17  1  0.95  0.95  0.15  1.0
  Pt  Pt18  1  0.11  0.0  0.15  1.0
  Pt  Pt19  1  0.38  0.95  0.57  1.0
  Pt  Pt20  1  0.38  0.95  0.74  1.0
  Pt  Pt21  1  0.7  0.0  0.89  1.0
  Pt  Pt22  1  0.7  0.0  0.41  1.0
  Pt  Pt23  1  0.98  0.95  0.0  1.0

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