# generated using pymatgen
data_Ca2CrN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88679425
_cell_length_b   5.88679425
_cell_length_c   11.61366427
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   124.75774528
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2CrN3
_chemical_formula_sum   'Ca8 Cr4 N12'
_cell_volume   330.65225526
_cell_formula_units_Z   4
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  0.54799423  0.45200577  0.64426824  1.0
  Ca  Ca1  1  0.45200577  0.54799423  0.35573176  1.0
  Ca  Ca2  1  0.95200577  0.04799423  0.14426824  1.0
  Ca  Ca3  1  0.04799423  0.95200577  0.85573176  1.0
  Ca  Ca4  1  0.86048625  0.13951375  0.57667130  1.0
  Ca  Ca5  1  0.13951375  0.86048625  0.42332870  1.0
  Ca  Ca6  1  0.63951375  0.36048625  0.07667130  1.0
  Ca  Ca7  1  0.36048625  0.63951375  0.92332870  1.0
  Cr  Cr8  1  0.74809706  0.25190294  0.83823543  1.0
  Cr  Cr9  1  0.25190294  0.74809706  0.16176457  1.0
  Cr  Cr10  1  0.75190294  0.24809706  0.33823543  1.0
  Cr  Cr11  1  0.24809706  0.75190294  0.66176457  1.0
  N  N12  1  0.84292593  0.15707407  0.96299990  1.0
  N  N13  1  0.15707407  0.84292593  0.03700010  1.0
  N  N14  1  0.65707407  0.34292593  0.46299990  1.0
  N  N15  1  0.34292593  0.65707407  0.53700010  1.0
  N  N16  1  0.58357724  0.41642276  0.86574305  1.0
  N  N17  1  0.41642276  0.58357724  0.13425695  1.0
  N  N18  1  0.91642276  0.08357724  0.36574305  1.0
  N  N19  1  0.08357724  0.91642276  0.63425695  1.0
  N  N20  1  0.54645014  0.95354986  0.75000000  1.0
  N  N21  1  0.95354986  0.54645014  0.25000000  1.0
  N  N22  1  0.45354986  0.04645014  0.25000000  1.0
  N  N23  1  0.04645014  0.45354986  0.75000000  1.0