data_Mg17Os12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.68
_cell_length_b   8.68
_cell_length_c   8.68
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg17Os12
_chemical_formula_sum   'Mg17 Os12'
_cell_volume   503.01
_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
  Mg  Mg0  1  0.43  0.38  0.43  1.0
  Mg  Mg1  1  0.58  0.37  0.58  1.0
  Mg  Mg2  1  0.43  0.64  0.57  1.0
  Mg  Mg3  1  0.57  0.64  0.43  1.0
  Mg  Mg4  1  0.43  0.57  0.64  1.0
  Mg  Mg5  1  0.57  0.43  0.64  1.0
  Mg  Mg6  1  0.58  0.58  0.37  1.0
  Mg  Mg7  1  0.43  0.43  0.38  1.0
  Mg  Mg8  1  0.64  0.57  0.43  1.0
  Mg  Mg9  1  0.64  0.43  0.57  1.0
  Mg  Mg10  1  0.38  0.43  0.43  1.0
  Mg  Mg11  1  0.37  0.58  0.58  1.0
  Mg  Mg12  1  0.78  0.22  0.78  1.0
  Mg  Mg13  1  0.23  0.23  0.23  1.0
  Mg  Mg14  1  0.78  0.78  0.22  1.0
  Mg  Mg15  1  0.22  0.78  0.78  1.0
  Mg  Mg16  1  0.0  0.0  0.0  1.0
  Os  Os17  1  0.15  0.68  0.15  1.0
  Os  Os18  1  0.86  0.69  0.86  1.0
  Os  Os19  1  0.14  0.33  0.86  1.0
  Os  Os20  1  0.86  0.33  0.14  1.0
  Os  Os21  1  0.14  0.86  0.33  1.0
  Os  Os22  1  0.86  0.14  0.33  1.0
  Os  Os23  1  0.86  0.86  0.69  1.0
  Os  Os24  1  0.15  0.15  0.68  1.0
  Os  Os25  1  0.33  0.86  0.14  1.0
  Os  Os26  1  0.33  0.14  0.86  1.0
  Os  Os27  1  0.68  0.15  0.15  1.0
  Os  Os28  1  0.69  0.86  0.86  1.0

data_Mg17Os12
_symmetry_space_group_name_H-M   R3m
_cell_length_a   14.17
_cell_length_b   14.17
_cell_length_c   8.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Mg17Os12
_chemical_formula_sum   'Mg51 Os36'
_cell_volume   1509.04
_cell_formula_units_Z   3
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+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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  18  0.02  0.12  0.55  1.0
  Mg  Mg1  9  0.02  0.03  0.41  1.0
  Mg  Mg2  9  0.07  0.14  0.51  1.0
  Mg  Mg3  9  0.18  0.37  0.59  1.0
  Mg  Mg4  3  0.0  0.0  0.0  1.0
  Mg  Mg5  3  0.0  0.0  0.23  1.0
  Os  Os6  18  0.03  0.25  0.11  1.0
  Os  Os7  9  0.02  0.51  0.66  1.0
  Os  Os8  9  0.06  0.11  0.8  1.0

Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Os Os Os Os Os Os Os Os Os Os Os Os