# generated using pymatgen
data_Ca11(IrN5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.93075400
_cell_length_b   14.93075400
_cell_length_c   3.71966900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca11(IrN5)2
_chemical_formula_sum   'Ca22 Ir4 N20'
_cell_volume   829.21619486
_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  0.97490300  0.78486700  0.50000000  1.0
  Ca  Ca3  1  0.02509700  0.21513300  0.50000000  1.0
  Ca  Ca4  1  0.52509700  0.28486700  0.00000000  1.0
  Ca  Ca5  1  0.47490300  0.71513300  0.00000000  1.0
  Ca  Ca6  1  0.78486700  0.97490300  0.50000000  1.0
  Ca  Ca7  1  0.21513300  0.02509700  0.50000000  1.0
  Ca  Ca8  1  0.28486700  0.52509700  0.00000000  1.0
  Ca  Ca9  1  0.71513300  0.47490300  0.00000000  1.0
  Ca  Ca10  1  0.69970000  0.69970000  0.50000000  1.0
  Ca  Ca11  1  0.30030000  0.30030000  0.50000000  1.0
  Ca  Ca12  1  0.80030000  0.19970000  0.00000000  1.0
  Ca  Ca13  1  0.19970000  0.80030000  0.00000000  1.0
  Ca  Ca14  1  0.38782000  0.89203700  0.50000000  1.0
  Ca  Ca15  1  0.61218000  0.10796300  0.50000000  1.0
  Ca  Ca16  1  0.11218000  0.39203700  0.00000000  1.0
  Ca  Ca17  1  0.88782000  0.60796300  0.00000000  1.0
  Ca  Ca18  1  0.89203700  0.38782000  0.50000000  1.0
  Ca  Ca19  1  0.10796300  0.61218000  0.50000000  1.0
  Ca  Ca20  1  0.39203700  0.11218000  0.00000000  1.0
  Ca  Ca21  1  0.60796300  0.88782000  0.00000000  1.0
  Ir  Ir22  1  0.30439400  0.69560600  0.50000000  1.0
  Ir  Ir23  1  0.69560600  0.30439400  0.50000000  1.0
  Ir  Ir24  1  0.19560600  0.19560600  0.00000000  1.0
  Ir  Ir25  1  0.80439400  0.80439400  0.00000000  1.0
  N  N26  1  0.13305800  0.86694200  0.50000000  1.0
  N  N27  1  0.86694200  0.13305800  0.50000000  1.0
  N  N28  1  0.36694200  0.36694200  0.00000000  1.0
  N  N29  1  0.63305800  0.63305800  0.00000000  1.0
  N  N30  1  0.46616900  0.18609500  0.50000000  1.0
  N  N31  1  0.53383100  0.81390500  0.50000000  1.0
  N  N32  1  0.03383100  0.68609500  0.00000000  1.0
  N  N33  1  0.96616900  0.31390500  0.00000000  1.0
  N  N34  1  0.18609500  0.46616900  0.50000000  1.0
  N  N35  1  0.81390500  0.53383100  0.50000000  1.0
  N  N36  1  0.68609500  0.03383100  0.00000000  1.0
  N  N37  1  0.31390500  0.96616900  0.00000000  1.0
  N  N38  1  0.07380400  0.92619600  0.50000000  1.0
  N  N39  1  0.92619600  0.07380400  0.50000000  1.0
  N  N40  1  0.42619600  0.42619600  0.00000000  1.0
  N  N41  1  0.57380400  0.57380400  0.00000000  1.0
  N  N42  1  0.60951700  0.39048300  0.50000000  1.0
  N  N43  1  0.39048300  0.60951700  0.50000000  1.0
  N  N44  1  0.89048300  0.89048300  0.00000000  1.0
  N  N45  1  0.10951700  0.10951700  0.00000000  1.0