# generated using pymatgen
data_Nd5Mg(P2Ru3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.62980341
_cell_length_b   12.48194189
_cell_length_c   4.01786150
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.61348158
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd5Mg(P2Ru3)6
_chemical_formula_sum   'Nd5 Mg1 P12 Ru18'
_cell_volume   550.65894184
_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
  Nd  Nd0  1  1.00000000  0.18017031  0.50000000  1.0
  Nd  Nd1  1  0.81708085  0.81749537  0.50000000  1.0
  Nd  Nd2  1  0.18291915  0.00041452  0.50000000  1.0
  Nd  Nd3  1  0.66087459  0.32939533  0.00000000  1.0
  Nd  Nd4  1  0.33912541  0.66852275  0.00000000  1.0
  Mg  Mg5  1  0.00000000  0.56209557  0.00000000  1.0
  P  P6  1  1.00000000  0.80769282  0.00000000  1.0
  P  P7  1  0.18631403  0.18692960  0.00000000  1.0
  P  P8  1  0.81368597  0.00061457  0.00000000  1.0
  P  P9  1  0.69227963  0.17128774  0.50000000  1.0
  P  P10  1  0.81894006  0.52091907  0.50000000  1.0
  P  P11  1  0.47306757  0.30608188  0.50000000  1.0
  P  P12  1  0.18105994  0.70197901  0.50000000  1.0
  P  P13  1  0.52693243  0.83301430  0.50000000  1.0
  P  P14  1  0.30772037  0.47900811  0.50000000  1.0
  P  P15  1  0.00000000  0.36296650  0.00000000  1.0
  P  P16  1  0.62306921  0.62336277  0.00000000  1.0
  P  P17  1  0.37693079  0.00029356  0.00000000  1.0
  Ru  Ru18  1  0.44464747  0.44477245  0.00000000  1.0
  Ru  Ru19  1  0.55535253  0.00012498  0.00000000  1.0
  Ru  Ru20  1  1.00000000  0.71275084  0.50000000  1.0
  Ru  Ru21  1  0.28389400  0.28579715  0.50000000  1.0
  Ru  Ru22  1  0.71610600  0.00190215  0.50000000  1.0
  Ru  Ru23  1  0.80423077  0.18440771  0.00000000  1.0
  Ru  Ru24  1  0.81393526  0.61874946  0.00000000  1.0
  Ru  Ru25  1  0.37488493  0.19090384  0.00000000  1.0
  Ru  Ru26  1  0.18606474  0.80481421  0.00000000  1.0
  Ru  Ru27  1  0.62511507  0.81601890  0.00000000  1.0
  Ru  Ru28  1  0.19576923  0.38017694  0.00000000  1.0
  Ru  Ru29  1  0.87599899  0.36633662  0.50000000  1.0
  Ru  Ru30  1  0.63032931  0.51040820  0.50000000  1.0
  Ru  Ru31  1  0.49194019  0.12756233  0.50000000  1.0
  Ru  Ru32  1  0.36967069  0.88007889  0.50000000  1.0
  Ru  Ru33  1  0.50805981  0.63562214  0.50000000  1.0
  Ru  Ru34  1  0.12400101  0.49033763  0.50000000  1.0
  Ru  Ru35  1  1.00000000  0.99699076  0.00000000  1.0