# generated using pymatgen
data_Ca11(PbN5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.82120100
_cell_length_b   15.82120100
_cell_length_c   3.64679800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca11(PbN5)2
_chemical_formula_sum   'Ca22 Pb4 N20'
_cell_volume   912.83147005
_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  0.01858000  0.76900400  0.50000000  1.0
  Ca  Ca3  1  0.98142000  0.23099600  0.50000000  1.0
  Ca  Ca4  1  0.48142000  0.26900400  0.00000000  1.0
  Ca  Ca5  1  0.51858000  0.73099600  0.00000000  1.0
  Ca  Ca6  1  0.76900400  0.01858000  0.50000000  1.0
  Ca  Ca7  1  0.23099600  0.98142000  0.50000000  1.0
  Ca  Ca8  1  0.26900400  0.48142000  0.00000000  1.0
  Ca  Ca9  1  0.73099600  0.51858000  0.00000000  1.0
  Ca  Ca10  1  0.70943100  0.70943100  0.50000000  1.0
  Ca  Ca11  1  0.29056900  0.29056900  0.50000000  1.0
  Ca  Ca12  1  0.79056900  0.20943100  0.00000000  1.0
  Ca  Ca13  1  0.20943100  0.79056900  0.00000000  1.0
  Ca  Ca14  1  0.39835200  0.88016400  0.50000000  1.0
  Ca  Ca15  1  0.60164800  0.11983600  0.50000000  1.0
  Ca  Ca16  1  0.10164800  0.38016400  0.00000000  1.0
  Ca  Ca17  1  0.89835200  0.61983600  0.00000000  1.0
  Ca  Ca18  1  0.88016400  0.39835200  0.50000000  1.0
  Ca  Ca19  1  0.11983600  0.60164800  0.50000000  1.0
  Ca  Ca20  1  0.38016400  0.10164800  0.00000000  1.0
  Ca  Ca21  1  0.61983600  0.89835200  0.00000000  1.0
  Pb  Pb22  1  0.36213000  0.63787000  0.50000000  1.0
  Pb  Pb23  1  0.63787000  0.36213000  0.50000000  1.0
  Pb  Pb24  1  0.13787000  0.13787000  0.00000000  1.0
  Pb  Pb25  1  0.86213000  0.86213000  0.00000000  1.0
  N  N26  1  0.07438500  0.92561500  0.50000000  1.0
  N  N27  1  0.92561500  0.07438500  0.50000000  1.0
  N  N28  1  0.42561500  0.42561500  0.00000000  1.0
  N  N29  1  0.57438500  0.57438500  0.00000000  1.0
  N  N30  1  0.45328100  0.17224400  0.50000000  1.0
  N  N31  1  0.54671900  0.82775600  0.50000000  1.0
  N  N32  1  0.04671900  0.67224400  0.00000000  1.0
  N  N33  1  0.95328100  0.32775600  0.00000000  1.0
  N  N34  1  0.17224400  0.45328100  0.50000000  1.0
  N  N35  1  0.82775600  0.54671900  0.50000000  1.0
  N  N36  1  0.67224400  0.04671900  0.00000000  1.0
  N  N37  1  0.32775600  0.95328100  0.00000000  1.0
  N  N38  1  0.86818700  0.13181300  0.50000000  1.0
  N  N39  1  0.13181300  0.86818700  0.50000000  1.0
  N  N40  1  0.63181300  0.63181300  0.00000000  1.0
  N  N41  1  0.36818700  0.36818700  0.00000000  1.0
  N  N42  1  0.73184000  0.26816000  0.50000000  1.0
  N  N43  1  0.26816000  0.73184000  0.50000000  1.0
  N  N44  1  0.76816000  0.76816000  0.00000000  1.0
  N  N45  1  0.23184000  0.23184000  0.00000000  1.0