# generated using pymatgen
data_Ca3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.90207371
_cell_length_b   9.90207415
_cell_length_c   9.90207309
_cell_angle_alpha   109.47121846
_cell_angle_beta   109.47121936
_cell_angle_gamma   109.47122396
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3N2
_chemical_formula_sum   'Ca24 N16'
_cell_volume   747.40597751
_cell_formula_units_Z   8
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  0.04391261  0.27153737  0.00695768  1.0
  Ca  Ca1  1  0.27237624  0.73542131  0.22846263  1.0
  Ca  Ca2  1  0.76457869  0.03695393  0.49304232  1.0
  Ca  Ca3  1  0.45608739  0.46304607  0.22762376  1.0
  Ca  Ca4  1  0.22762376  0.45608739  0.46304607  1.0
  Ca  Ca5  1  0.27153737  0.00695768  0.04391261  1.0
  Ca  Ca6  1  0.22846263  0.27237624  0.73542131  1.0
  Ca  Ca7  1  0.03695393  0.49304232  0.76457869  1.0
  Ca  Ca8  1  0.49304232  0.76457869  0.03695393  1.0
  Ca  Ca9  1  0.73542131  0.22846263  0.27237624  1.0
  Ca  Ca10  1  0.00695768  0.04391261  0.27153737  1.0
  Ca  Ca11  1  0.46304607  0.22762376  0.45608739  1.0
  Ca  Ca12  1  0.96304607  0.50695768  0.23542131  1.0
  Ca  Ca13  1  0.77153737  0.72762376  0.26457869  1.0
  Ca  Ca14  1  0.72846263  0.99304232  0.95608739  1.0
  Ca  Ca15  1  0.77237624  0.54391261  0.53695393  1.0
  Ca  Ca16  1  0.54391261  0.53695393  0.77237624  1.0
  Ca  Ca17  1  0.23542131  0.96304607  0.50695768  1.0
  Ca  Ca18  1  0.72762376  0.26457869  0.77153737  1.0
  Ca  Ca19  1  0.95608739  0.72846263  0.99304232  1.0
  Ca  Ca20  1  0.50695768  0.23542131  0.96304607  1.0
  Ca  Ca21  1  0.26457869  0.77153737  0.72762376  1.0
  Ca  Ca22  1  0.99304232  0.95608739  0.72846263  1.0
  Ca  Ca23  1  0.53695393  0.77237624  0.54391261  1.0
  N  N24  1  0.25000000  0.71035616  0.46035616  1.0
  N  N25  1  0.03964384  0.75000000  0.78964384  1.0
  N  N26  1  0.78964384  0.03964384  0.75000000  1.0
  N  N27  1  0.46035616  0.25000000  0.71035616  1.0
  N  N28  1  0.71035616  0.46035616  0.25000000  1.0
  N  N29  1  0.75000000  0.78964384  0.03964384  1.0
  N  N30  1  0.75000000  0.28964384  0.53964384  1.0
  N  N31  1  0.96035616  0.25000000  0.21035616  1.0
  N  N32  1  0.21035616  0.96035616  0.25000000  1.0
  N  N33  1  0.53964384  0.75000000  0.28964384  1.0
  N  N34  1  0.28964384  0.53964384  0.75000000  1.0
  N  N35  1  0.25000000  0.21035616  0.96035616  1.0
  N  N36  1  0.00000000  0.50000000  -0.00000000  1.0
  N  N37  1  0.50000000  -0.00000000  -0.00000000  1.0
  N  N38  1  0.00000000  -0.00000000  0.50000000  1.0
  N  N39  1  0.50000000  0.50000000  0.50000000  1.0