data_Mg8BPt4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.7
_cell_length_b   8.7
_cell_length_c   8.7
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg8BPt4
_chemical_formula_sum   'Mg16 B2 Pt8'
_cell_volume   465.4
_cell_formula_units_Z   2
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  Mg2  1  0.54  0.61  0.61  1.0
  Mg  Mg3  1  0.61  0.54  0.61  1.0
  Mg  Mg4  1  0.61  0.61  0.54  1.0
  Mg  Mg5  1  0.23  0.77  0.23  1.0
  Mg  Mg6  1  0.23  0.23  0.77  1.0
  Mg  Mg7  1  0.77  0.23  0.23  1.0
  Mg  Mg8  1  0.69  0.15  0.15  1.0
  Mg  Mg9  1  0.15  0.69  0.15  1.0
  Mg  Mg10  1  0.15  0.15  0.69  1.0
  Mg  Mg11  1  0.54  0.54  0.54  1.0
  Mg  Mg12  1  0.23  0.23  0.68  1.0
  Mg  Mg13  1  0.23  0.68  0.23  1.0
  Mg  Mg14  1  0.68  0.23  0.23  1.0
  Mg  Mg15  1  0.61  0.15  0.15  1.0
  Mg  Mg16  1  0.15  0.15  0.61  1.0
  Mg  Mg17  1  0.15  0.61  0.15  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  B  B1  1  0.08  0.08  0.08  1.0
  Pt  Pt18  1  0.3  0.3  0.3  1.0
  Pt  Pt19  1  0.08  0.37  0.37  1.0
  Pt  Pt20  1  0.37  0.37  0.08  1.0
  Pt  Pt21  1  0.37  0.08  0.37  1.0
  Pt  Pt22  1  0.0  0.3  0.0  1.0
  Pt  Pt23  1  0.0  0.0  0.3  1.0
  Pt  Pt24  1  0.3  0.0  0.0  1.0
  Pt  Pt25  1  0.08  0.08  0.08  1.0

data_Mg8BPt4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   8.7
_cell_length_b   8.7
_cell_length_c   21.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Mg8BPt4
_chemical_formula_sum   'Mg48 B6 Pt24'
_cell_volume   1396.19
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  9  0.03  0.51  0.29  1.0
  Mg  Mg1  9  0.03  0.51  0.36  1.0
  Mg  Mg2  9  0.05  0.03  0.41  1.0
  Mg  Mg3  9  0.18  0.36  0.67  1.0
  Mg  Mg4  9  0.18  0.36  0.59  1.0
  Mg  Mg5  3  0.0  0.0  0.46  1.0
  B  B6  3  0.0  0.0  0.0  1.0
  B  B7  3  0.0  0.0  0.92  1.0
  Pt  Pt8  9  0.1  0.2  0.9  1.0
  Pt  Pt9  9  0.2  0.1  0.72  1.0
  Pt  Pt10  3  0.0  0.0  0.7  1.0
  Pt  Pt11  3  0.0  0.0  0.92  1.0

Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg B B Pt Pt Pt Pt Pt Pt Pt Pt 0 1 o o o 0 2 o o o 0 9 o o o 1 2 o o o 1 9 o o o 2 9 o o o 3 11 o o o 4 10 o o o 5 12 o o o 6 13 o o o 7 15 o o o 8 14 o o o 16 25 o o o 16 17 o o o 17 25 o o o 17 22 o o o 17 23 o o o 17 24 o o o 18 19 o o o 18 21 o o o 18 20 o o o 22 25 o o o 23 25 o o o 24 25 o o o 