# generated using pymatgen
data_Ca11(RuN5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.19214100
_cell_length_b   15.19214100
_cell_length_c   3.59841200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca11(RuN5)2
_chemical_formula_sum   'Ca22 Ru4 N20'
_cell_volume   830.51762117
_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
  Ca  Ca0  1  0.50000000  0.50000000  0.50000000  1.0
  Ca  Ca1  1  0.00000000  0.00000000  0.00000000  1.0
  Ca  Ca2  1  0.98482900  0.78283100  0.50000000  1.0
  Ca  Ca3  1  0.01517100  0.21716900  0.50000000  1.0
  Ca  Ca4  1  0.51517100  0.28283100  0.00000000  1.0
  Ca  Ca5  1  0.48482900  0.71716900  0.00000000  1.0
  Ca  Ca6  1  0.78283100  0.98482900  0.50000000  1.0
  Ca  Ca7  1  0.21716900  0.01517100  0.50000000  1.0
  Ca  Ca8  1  0.28283100  0.51517100  0.00000000  1.0
  Ca  Ca9  1  0.71716900  0.48482900  0.00000000  1.0
  Ca  Ca10  1  0.69851600  0.69851600  0.50000000  1.0
  Ca  Ca11  1  0.30148400  0.30148400  0.50000000  1.0
  Ca  Ca12  1  0.80148400  0.19851600  0.00000000  1.0
  Ca  Ca13  1  0.19851600  0.80148400  0.00000000  1.0
  Ca  Ca14  1  0.39076900  0.89029000  0.50000000  1.0
  Ca  Ca15  1  0.60923100  0.10971000  0.50000000  1.0
  Ca  Ca16  1  0.10923100  0.39029000  0.00000000  1.0
  Ca  Ca17  1  0.89076900  0.60971000  0.00000000  1.0
  Ca  Ca18  1  0.89029000  0.39076900  0.50000000  1.0
  Ca  Ca19  1  0.10971000  0.60923100  0.50000000  1.0
  Ca  Ca20  1  0.39029000  0.10923100  0.00000000  1.0
  Ca  Ca21  1  0.60971000  0.89076900  0.00000000  1.0
  Ru  Ru22  1  0.30945900  0.69054100  0.50000000  1.0
  Ru  Ru23  1  0.69054100  0.30945900  0.50000000  1.0
  Ru  Ru24  1  0.19054100  0.19054100  0.00000000  1.0
  Ru  Ru25  1  0.80945900  0.80945900  0.00000000  1.0
  N  N26  1  0.13278400  0.86721600  0.50000000  1.0
  N  N27  1  0.86721600  0.13278400  0.50000000  1.0
  N  N28  1  0.36721600  0.36721600  0.00000000  1.0
  N  N29  1  0.63278400  0.63278400  0.00000000  1.0
  N  N30  1  0.46430600  0.18457200  0.50000000  1.0
  N  N31  1  0.53569400  0.81542800  0.50000000  1.0
  N  N32  1  0.03569400  0.68457200  0.00000000  1.0
  N  N33  1  0.96430600  0.31542800  0.00000000  1.0
  N  N34  1  0.18457200  0.46430600  0.50000000  1.0
  N  N35  1  0.81542800  0.53569400  0.50000000  1.0
  N  N36  1  0.68457200  0.03569400  0.00000000  1.0
  N  N37  1  0.31542800  0.96430600  0.00000000  1.0
  N  N38  1  0.07366600  0.92633400  0.50000000  1.0
  N  N39  1  0.92633400  0.07366600  0.50000000  1.0
  N  N40  1  0.42633300  0.42633300  0.00000000  1.0
  N  N41  1  0.57366600  0.57366600  0.00000000  1.0
  N  N42  1  0.60936900  0.39063100  0.50000000  1.0
  N  N43  1  0.39063100  0.60936900  0.50000000  1.0
  N  N44  1  0.89063100  0.89063100  0.00000000  1.0
  N  N45  1  0.10936900  0.10936900  0.00000000  1.0