# generated using pymatgen
data_Er5Ni(P2Ru3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.37844317
_cell_length_b   12.37844294
_cell_length_c   3.94284062
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000321
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er5Ni(P2Ru3)6
_chemical_formula_sum   'Er5 Ni1 P12 Ru18'
_cell_volume   523.20500029
_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
  Er  Er0  1  0.66666700  0.33333300  0.00000000  1.0
  Er  Er1  1  0.33333300  0.66666700  0.00000000  1.0
  Er  Er2  1  0.18672908  0.18672908  0.50000000  1.0
  Er  Er3  1  0.81327092  1.00000000  0.50000000  1.0
  Er  Er4  1  1.00000000  0.81327092  0.50000000  1.0
  Ni  Ni5  1  0.00000000  0.00000000  0.00000000  1.0
  P  P6  1  0.37358396  0.37358396  0.00000000  1.0
  P  P7  1  0.62641604  1.00000000  0.00000000  1.0
  P  P8  1  1.00000000  0.62641604  0.00000000  1.0
  P  P9  1  0.82992625  0.30581443  0.50000000  1.0
  P  P10  1  0.69418557  0.52411282  0.50000000  1.0
  P  P11  1  0.47588718  0.17007375  0.50000000  1.0
  P  P12  1  0.30581443  0.82992625  0.50000000  1.0
  P  P13  1  0.52411282  0.69418557  0.50000000  1.0
  P  P14  1  0.17007375  0.47588718  0.50000000  1.0
  P  P15  1  0.82246397  0.82246397  0.00000000  1.0
  P  P16  1  0.17753603  0.00000000  0.00000000  1.0
  P  P17  1  0.00000000  0.17753603  0.00000000  1.0
  Ru  Ru18  1  0.81545061  0.18983667  0.00000000  1.0
  Ru  Ru19  1  0.81016333  0.62561393  0.00000000  1.0
  Ru  Ru20  1  0.37438607  0.18454939  0.00000000  1.0
  Ru  Ru21  1  0.18983667  0.81545061  0.00000000  1.0
  Ru  Ru22  1  0.62561393  0.81016333  0.00000000  1.0
  Ru  Ru23  1  0.18454939  0.37438607  0.00000000  1.0
  Ru  Ru24  1  0.55676199  0.55676199  0.00000000  1.0
  Ru  Ru25  1  0.44323801  1.00000000  0.00000000  1.0
  Ru  Ru26  1  1.00000000  0.44323801  0.00000000  1.0
  Ru  Ru27  1  0.63386399  0.12658069  0.50000000  1.0
  Ru  Ru28  1  0.87341931  0.50728529  0.50000000  1.0
  Ru  Ru29  1  0.49271471  0.36613601  0.50000000  1.0
  Ru  Ru30  1  0.12658069  0.63386399  0.50000000  1.0
  Ru  Ru31  1  0.50728529  0.87341931  0.50000000  1.0
  Ru  Ru32  1  0.36613601  0.49271471  0.50000000  1.0
  Ru  Ru33  1  0.72174138  0.72174138  0.50000000  1.0
  Ru  Ru34  1  0.27825862  0.00000000  0.50000000  1.0
  Ru  Ru35  1  0.00000000  0.27825862  0.50000000  1.0