data_Mg4P2Ru5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.94
_cell_length_b   12.06
_cell_length_c   3.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg4P2Ru5
_chemical_formula_sum   'Mg8 P4 Ru10'
_cell_volume   334.84
_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  Mg0  1  0.17  0.18  0.55  1.0
  Mg  Mg1  1  0.77  0.89  0.55  1.0
  Mg  Mg2  1  0.64  0.86  0.55  1.0
  Mg  Mg3  1  0.3  0.21  0.55  1.0
  Mg  Mg4  1  0.34  0.59  0.55  1.0
  Mg  Mg5  1  0.6  0.47  0.55  1.0
  Mg  Mg6  1  0.81  0.44  0.55  1.0
  Mg  Mg7  1  0.13  0.62  0.55  1.0
  P  P8  1  0.58  0.95  0.55  1.0
  P  P9  1  0.36  0.12  0.55  1.0
  P  P10  1  0.05  0.08  0.55  1.0
  P  P11  1  0.89  0.98  0.55  1.0
  Ru  Ru12  1  0.89  0.41  0.0  1.0
  Ru  Ru13  1  0.05  0.65  0.0  1.0
  Ru  Ru14  1  0.42  0.62  0.0  1.0
  Ru  Ru15  1  0.52  0.45  0.0  1.0
  Ru  Ru16  1  0.47  0.03  0.0  1.0
  Ru  Ru17  1  0.0  0.0  0.0  1.0
  Ru  Ru18  1  0.6  0.88  0.0  1.0
  Ru  Ru19  1  0.35  0.19  0.0  1.0
  Ru  Ru20  1  0.07  0.16  0.0  1.0
  Ru  Ru21  1  0.87  0.91  0.0  1.0

data_Mg4P2Ru5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   8.94
_cell_length_c   12.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg4P2Ru5
_chemical_formula_sum   'Mg8 P4 Ru10'
_cell_volume   334.84
_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  Mg0  1  0.55  0.13  0.62  1.0
  Mg  Mg1  1  0.55  0.17  0.18  1.0
  Mg  Mg2  1  0.55  0.3  0.21  1.0
  Mg  Mg3  1  0.55  0.34  0.59  1.0
  Mg  Mg4  1  0.55  0.6  0.47  1.0
  Mg  Mg5  1  0.55  0.64  0.86  1.0
  Mg  Mg6  1  0.55  0.77  0.89  1.0
  Mg  Mg7  1  0.55  0.81  0.44  1.0
  P  P8  1  0.55  0.05  0.08  1.0
  P  P9  1  0.55  0.36  0.12  1.0
  P  P10  1  0.55  0.58  0.95  1.0
  P  P11  1  0.55  0.89  0.98  1.0
  Ru  Ru12  1  -0.0  0.89  0.41  1.0
  Ru  Ru13  1  -0.0  0.87  0.91  1.0
  Ru  Ru14  1  -0.0  0.52  0.45  1.0
  Ru  Ru15  1  -0.0  0.6  0.88  1.0
  Ru  Ru16  1  -0.0  0.35  0.19  1.0
  Ru  Ru17  1  -0.0  0.42  0.62  1.0
  Ru  Ru18  1  -0.0  0.47  0.03  1.0
  Ru  Ru19  1  -0.0  0.07  0.16  1.0
  Ru  Ru20  1  -0.0  0.05  0.65  1.0
  Ru  Ru21  1  0.0  0.0  0.0  1.0

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