# generated using pymatgen
data_Ca3CrN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02865830
_cell_length_b   6.63762845
_cell_length_c   6.63746274
_cell_angle_alpha   100.93789993
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3CrN3
_chemical_formula_sum   'Ca6 Cr2 N6'
_cell_volume   217.52289262
_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  0.25000000  0.40208971  0.16743375  1.0
  Ca  Ca1  1  0.75000000  0.10705932  0.89293922  1.0
  Ca  Ca2  1  0.75000000  0.16740827  0.40209152  1.0
  Ca  Ca3  1  0.25000000  0.89293775  0.10706439  1.0
  Ca  Ca4  1  0.75000000  0.59791667  0.83256959  1.0
  Ca  Ca5  1  0.25000000  0.83258828  0.59790222  1.0
  Cr  Cr6  1  0.75000000  0.69442098  0.30558280  1.0
  Cr  Cr7  1  0.25000000  0.30558142  0.69441454  1.0
  N  N8  1  0.75000000  0.43543290  0.18006368  1.0
  N  N9  1  0.25000000  0.12584583  0.87415965  1.0
  N  N10  1  0.75000000  0.87415923  0.12583509  1.0
  N  N11  1  0.25000000  0.18003508  0.43543635  1.0
  N  N12  1  0.25000000  0.56455513  0.81993185  1.0
  N  N13  1  0.75000000  0.81997043  0.56457536  1.0