# generated using pymatgen
data_Ca3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78398545
_cell_length_b   7.70791220
_cell_length_c   9.31807377
_cell_angle_alpha   100.12455164
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.20908588
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3N2
_chemical_formula_sum   'Ca9 N6'
_cell_volume   259.09426619
_cell_formula_units_Z   3
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  0.12625825  0.25251650  0.27865528  1.0
  Ca  Ca1  1  0.78974263  0.57948526  0.37876858  1.0
  Ca  Ca2  1  0.82769699  0.65539297  0.03447066  1.0
  Ca  Ca3  1  0.21025737  0.42051474  0.62123142  1.0
  Ca  Ca4  1  0.17230301  0.34460703  0.96552934  1.0
  Ca  Ca5  1  0.87374175  0.74748350  0.72134472  1.0
  Ca  Ca6  1  0.46892547  0.93785094  0.34020549  1.0
  Ca  Ca7  1  0.50000000  0.00000000  0.00000000  1.0
  Ca  Ca8  1  0.53107453  0.06214906  0.65979451  1.0
  N  N9  1  0.35897348  0.71794695  0.51217290  1.0
  N  N10  1  0.03097756  0.06195512  0.81204299  1.0
  N  N11  1  0.96902244  0.93804488  0.18795701  1.0
  N  N12  1  0.31741477  0.63482853  0.86929321  1.0
  N  N13  1  0.64102652  0.28205305  0.48782710  1.0
  N  N14  1  0.68258523  0.36517147  0.13070679  1.0