# generated using pymatgen
data_Ca11(TiN5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.21506700
_cell_length_b   15.21506700
_cell_length_c   3.63119600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca11(TiN5)2
_chemical_formula_sum   'Ca22 Ti4 N20'
_cell_volume   840.61556957
_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  0.97173300  0.80530100  0.50000000  1.0
  Ca  Ca3  1  0.02826700  0.19469900  0.50000000  1.0
  Ca  Ca4  1  0.52826700  0.30530100  0.00000000  1.0
  Ca  Ca5  1  0.47173300  0.69469900  0.00000000  1.0
  Ca  Ca6  1  0.80530100  0.97173300  0.50000000  1.0
  Ca  Ca7  1  0.19469900  0.02826700  0.50000000  1.0
  Ca  Ca8  1  0.30530100  0.52826700  0.00000000  1.0
  Ca  Ca9  1  0.69469900  0.47173300  0.00000000  1.0
  Ca  Ca10  1  0.65425600  0.65425600  0.50000000  1.0
  Ca  Ca11  1  0.34574400  0.34574400  0.50000000  1.0
  Ca  Ca12  1  0.84574400  0.15425600  0.00000000  1.0
  Ca  Ca13  1  0.15425600  0.84574400  0.00000000  1.0
  Ca  Ca14  1  0.36861900  0.91365200  0.50000000  1.0
  Ca  Ca15  1  0.63138100  0.08634800  0.50000000  1.0
  Ca  Ca16  1  0.13138100  0.41365200  0.00000000  1.0
  Ca  Ca17  1  0.86861900  0.58634800  0.00000000  1.0
  Ca  Ca18  1  0.91365200  0.36861900  0.50000000  1.0
  Ca  Ca19  1  0.08634800  0.63138100  0.50000000  1.0
  Ca  Ca20  1  0.41365200  0.13138100  0.00000000  1.0
  Ca  Ca21  1  0.58634800  0.86861900  0.00000000  1.0
  Ti  Ti22  1  0.30143000  0.69857000  0.50000000  1.0
  Ti  Ti23  1  0.69857000  0.30143000  0.50000000  1.0
  Ti  Ti24  1  0.19857000  0.19857000  0.00000000  1.0
  Ti  Ti25  1  0.80143000  0.80143000  0.00000000  1.0
  N  N26  1  0.08033100  0.91966900  0.50000000  1.0
  N  N27  1  0.91966900  0.08033100  0.50000000  1.0
  N  N28  1  0.41966900  0.41966900  0.00000000  1.0
  N  N29  1  0.58033100  0.58033100  0.00000000  1.0
  N  N30  1  0.50537600  0.18719500  0.50000000  1.0
  N  N31  1  0.49462400  0.81280500  0.50000000  1.0
  N  N32  1  0.99462400  0.68719500  0.00000000  1.0
  N  N33  1  0.00537600  0.31280500  0.00000000  1.0
  N  N34  1  0.18719500  0.50537600  0.50000000  1.0
  N  N35  1  0.81280500  0.49462400  0.50000000  1.0
  N  N36  1  0.68719500  0.99462400  0.00000000  1.0
  N  N37  1  0.31280500  0.00537600  0.00000000  1.0
  N  N38  1  0.21716800  0.78283200  0.50000000  1.0
  N  N39  1  0.78283200  0.21716800  0.50000000  1.0
  N  N40  1  0.28283200  0.28283200  0.00000000  1.0
  N  N41  1  0.71716800  0.71716800  0.00000000  1.0
  N  N42  1  0.38693700  0.61306300  0.50000000  1.0
  N  N43  1  0.61306300  0.38693700  0.50000000  1.0
  N  N44  1  0.11306300  0.11306300  0.00000000  1.0
  N  N45  1  0.88693700  0.88693700  0.00000000  1.0