# generated using pymatgen
data_Ca3Al3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62764339
_cell_length_b   6.92223962
_cell_length_c   8.29285434
_cell_angle_alpha   108.31481624
_cell_angle_beta   104.48192421
_cell_angle_gamma   95.81672979
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Al3N5
_chemical_formula_sum   'Ca6 Al6 N10'
_cell_volume   291.20154590
_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  0.81073899  0.42346331  0.60635383  1.0
  Ca  Ca1  1  0.18926101  0.57653669  0.39364617  1.0
  Ca  Ca2  1  0.66729199  0.86229362  0.88328976  1.0
  Ca  Ca3  1  0.33270801  0.13770638  0.11671024  1.0
  Ca  Ca4  1  0.66295947  0.64198465  0.20105891  1.0
  Ca  Ca5  1  0.33704053  0.35801535  0.79894109  1.0
  Al  Al6  1  0.90641353  0.31461093  0.96962163  1.0
  Al  Al7  1  0.09358647  0.68538907  0.03037837  1.0
  Al  Al8  1  0.70583191  0.95394087  0.57136725  1.0
  Al  Al9  1  0.29416809  0.04605913  0.42863275  1.0
  Al  Al10  1  0.12537792  0.87762420  0.71030053  1.0
  Al  Al11  1  0.87462208  0.12237580  0.28969947  1.0
  N  N12  1  0.96401451  0.10389402  0.78538667  1.0
  N  N13  1  0.03598549  0.89610598  0.21461333  1.0
  N  N14  1  0.83699857  0.71073797  0.51758234  1.0
  N  N15  1  0.16300143  0.28926203  0.48241766  1.0
  N  N16  1  0.76342957  0.52206975  0.89834495  1.0
  N  N17  1  0.23657043  0.47793025  0.10165505  1.0
  N  N18  1  0.38684977  0.93766016  0.61419348  1.0
  N  N19  1  0.61315023  0.06233984  0.38580652  1.0
  N  N20  1  0.25146178  0.77584206  0.88945471  1.0
  N  N21  1  0.74853822  0.22415794  0.11054529  1.0