# generated using pymatgen
data_Ca16HN8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.26411873
_cell_length_b   10.31039786
_cell_length_c   14.65241857
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca16HN8
_chemical_formula_sum   'Ca32 H2 N16'
_cell_volume   1097.40687093
_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  0.21935096  0.73238548  0.00008313  1.0
  Ca  Ca1  1  0.00000000  0.50997319  0.88797610  1.0
  Ca  Ca2  1  0.78064904  0.73238548  0.00008313  1.0
  Ca  Ca3  1  0.72569157  0.23897862  0.75166692  1.0
  Ca  Ca4  1  0.72569067  0.26222832  0.99703823  1.0
  Ca  Ca5  1  0.50000000  0.48392315  0.88902563  1.0
  Ca  Ca6  1  0.50000000  0.01950809  0.64201756  1.0
  Ca  Ca7  1  0.50000000  0.01621119  0.85898331  1.0
  Ca  Ca8  1  0.27430933  0.26222832  0.99703823  1.0
  Ca  Ca9  1  0.27430843  0.23897862  0.75166692  1.0
  Ca  Ca10  1  0.22569067  0.73777168  0.49703823  1.0
  Ca  Ca11  1  0.21960362  0.76699419  0.74874241  1.0
  Ca  Ca12  1  0.00000000  0.99048410  0.86021044  1.0
  Ca  Ca13  1  0.00000000  0.98799985  0.63982068  1.0
  Ca  Ca14  1  0.00000000  0.51607685  0.38902563  1.0
  Ca  Ca15  1  0.00000000  0.51919300  0.60745770  1.0
  Ca  Ca16  1  0.77430933  0.73777168  0.49703823  1.0
  Ca  Ca17  1  0.78039638  0.76699419  0.74874241  1.0
  Ca  Ca18  1  0.71960362  0.23300581  0.24874241  1.0
  Ca  Ca19  1  0.71935096  0.26761452  0.50008313  1.0
  Ca  Ca20  1  0.50000000  0.49002681  0.38797610  1.0
  Ca  Ca21  1  0.50000000  0.48799959  0.60997015  1.0
  Ca  Ca22  1  0.50000000  0.01200015  0.13982068  1.0
  Ca  Ca23  1  0.50000000  0.00951590  0.36021044  1.0
  Ca  Ca24  1  0.28064904  0.26761452  0.50008313  1.0
  Ca  Ca25  1  0.28039638  0.23300581  0.24874241  1.0
  Ca  Ca26  1  0.22569157  0.76102138  0.25166692  1.0
  Ca  Ca27  1  0.00000000  0.98049191  0.14201756  1.0
  Ca  Ca28  1  0.00000000  0.98378881  0.35898331  1.0
  Ca  Ca29  1  0.00000000  0.51200041  0.10997015  1.0
  Ca  Ca30  1  0.77430843  0.76102138  0.25166692  1.0
  Ca  Ca31  1  0.50000000  0.48080700  0.10745770  1.0
  H  H32  1  0.00000000  0.25167633  0.87288941  1.0
  H  H33  1  0.50000000  0.74832367  0.37288941  1.0
  N  N34  1  0.00000000  0.75083786  0.87434835  1.0
  N  N35  1  0.50000000  0.25381362  0.62564308  1.0
  N  N36  1  0.50000000  0.24935615  0.87446521  1.0
  N  N37  1  0.24877251  0.00321848  0.75095029  1.0
  N  N38  1  0.24893134  0.49718600  0.99806919  1.0
  N  N39  1  0.00000000  0.75064385  0.37446521  1.0
  N  N40  1  0.00000000  0.75419983  0.62276005  1.0
  N  N41  1  0.74893134  0.50281400  0.49806919  1.0
  N  N42  1  0.75122749  0.00321848  0.75095029  1.0
  N  N43  1  0.50000000  0.24580017  0.12276005  1.0
  N  N44  1  0.50000000  0.24916214  0.37434835  1.0
  N  N45  1  0.25122749  0.99678152  0.25095029  1.0
  N  N46  1  0.25106866  0.50281400  0.49806919  1.0
  N  N47  1  0.00000000  0.74618638  0.12564308  1.0
  N  N48  1  0.74877251  0.99678152  0.25095029  1.0
  N  N49  1  0.75106866  0.49718600  0.99806919  1.0