data_Mg6Ru7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.73
_cell_length_b   9.73
_cell_length_c   9.73
_cell_angle_alpha   30.93
_cell_angle_beta   30.93
_cell_angle_gamma   30.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg6Ru7
_chemical_formula_sum   'Mg6 Ru7'
_cell_volume   216.04
_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  0.0  0.0  0.41  1.0
  Mg  Mg1  1  0.0  0.0  0.36  1.0
  Mg  Mg2  1  0.0  0.0  0.64  1.0
  Mg  Mg3  1  0.0  0.0  0.14  1.0
  Mg  Mg4  1  0.0  0.0  0.58  1.0
  Mg  Mg5  1  0.0  0.0  0.2  1.0
  Ru  Ru6  1  0.73  0.27  0.65  1.0
  Ru  Ru7  1  0.0  0.47  0.65  1.0
  Ru  Ru8  1  0.27  0.27  0.65  1.0
  Ru  Ru9  1  0.27  0.73  0.12  1.0
  Ru  Ru10  1  0.73  0.73  0.12  1.0
  Ru  Ru11  1  0.0  0.53  0.12  1.0
  Ru  Ru12  1  0.0  0.0  0.0  1.0

data_Mg6Ru7
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   9.73
_cell_angle_alpha   74.53
_cell_angle_beta   74.53
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg6Ru7
_chemical_formula_sum   'Mg6 Ru7'
_cell_volume   216.04
_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  0.0  0.36  0.64  1.0
  Mg  Mg1  1  0.0  0.42  0.58  1.0
  Mg  Mg2  1  0.0  0.59  0.41  1.0
  Mg  Mg3  1  0.0  0.64  0.36  1.0
  Mg  Mg4  1  0.0  0.8  0.2  1.0
  Mg  Mg5  1  0.0  0.86  0.14  1.0
  Ru  Ru6  1  0.0  0.0  0.0  1.0
  Ru  Ru7  1  0.27  0.88  0.12  1.0
  Ru  Ru8  1  0.27  0.88  0.59  1.0
  Ru  Ru9  1  0.47  0.88  0.66  1.0
  Ru  Ru10  1  0.53  0.35  0.12  1.0
  Ru  Ru11  1  0.73  0.35  0.65  1.0
  Ru  Ru12  1  0.73  0.35  0.19  1.0

Mg Mg Mg Mg Mg Mg Ru Ru Ru Ru Ru Ru Ru
Mg Mg Mg Mg Mg Mg Ru Ru Ru Ru Ru Ru Ru 0 1 o o o 2 4 o o o 2 6 - o o 3 5 o o o 3 9 o - o 3 12 o o o 4 6 - o o 5 9 o - o 7 8 o o o 10 11 + o o 