# generated using pymatgen
data_Ca4ZrN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13180236
_cell_length_b   6.13083772
_cell_length_c   9.30688634
_cell_angle_alpha   70.76539822
_cell_angle_beta   81.66936169
_cell_angle_gamma   68.54037938
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4ZrN4
_chemical_formula_sum   'Ca8 Zr2 N8'
_cell_volume   307.32467648
_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  0.72840985  0.61935345  0.19523058  1.0
  Ca  Ca1  1  0.27159015  0.38064655  0.80476942  1.0
  Ca  Ca2  1  0.75616033  0.24431930  0.99381995  1.0
  Ca  Ca3  1  0.24383967  0.75568070  0.00618005  1.0
  Ca  Ca4  1  0.73716771  0.47545102  0.57469406  1.0
  Ca  Ca5  1  0.26283229  0.52454898  0.42530594  1.0
  Ca  Ca6  1  0.24821634  0.94300419  0.59505779  1.0
  Ca  Ca7  1  0.75178366  0.05699581  0.40494221  1.0
  Zr  Zr8  1  0.72046009  0.84185985  0.76514640  1.0
  Zr  Zr9  1  0.27953991  0.15814015  0.23485360  1.0
  N  N10  1  0.98598958  0.69908966  0.61575601  1.0
  N  N11  1  0.01401042  0.30091034  0.38424399  1.0
  N  N12  1  0.84313014  0.85408368  0.95653328  1.0
  N  N13  1  0.15686986  0.14591632  0.04346672  1.0
  N  N14  1  0.51215983  0.62204757  0.80180458  1.0
  N  N15  1  0.48784017  0.37795243  0.19819542  1.0
  N  N16  1  0.48570946  0.81846463  0.37913348  1.0
  N  N17  1  0.51429054  0.18153537  0.62086652  1.0