# generated using pymatgen
data_Ca3(CrN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59927300
_cell_length_b   9.65457500
_cell_length_c   9.09756200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3(CrN2)2
_chemical_formula_sum   'Ca12 Cr8 N16'
_cell_volume   491.80147536
_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  0.61868900  0.15582200  0.41844600  1.0
  Ca  Ca1  1  0.88131100  0.84417800  0.41844600  1.0
  Ca  Ca2  1  0.61868900  0.34417800  0.08155400  1.0
  Ca  Ca3  1  0.88131100  0.65582200  0.08155400  1.0
  Ca  Ca4  1  0.38131100  0.84417800  0.58155400  1.0
  Ca  Ca5  1  0.11868900  0.15582200  0.58155400  1.0
  Ca  Ca6  1  0.38131100  0.65582200  0.91844600  1.0
  Ca  Ca7  1  0.11868900  0.34417800  0.91844600  1.0
  Ca  Ca8  1  0.75000000  0.50000000  0.40202800  1.0
  Ca  Ca9  1  0.75000000  0.00000000  0.09797200  1.0
  Ca  Ca10  1  0.25000000  0.50000000  0.59797200  1.0
  Ca  Ca11  1  0.25000000  0.00000000  0.90202800  1.0
  Cr  Cr12  1  0.75000000  0.50000000  0.73477300  1.0
  Cr  Cr13  1  0.75000000  0.00000000  0.76522700  1.0
  Cr  Cr14  1  0.25000000  0.50000000  0.26522700  1.0
  Cr  Cr15  1  0.25000000  0.00000000  0.23477300  1.0
  Cr  Cr16  1  0.65283100  0.25000000  0.75000000  1.0
  Cr  Cr17  1  0.84716900  0.75000000  0.75000000  1.0
  Cr  Cr18  1  0.34716900  0.75000000  0.25000000  1.0
  Cr  Cr19  1  0.15283100  0.25000000  0.25000000  1.0
  N  N20  1  0.86797600  0.35154900  0.62447600  1.0
  N  N21  1  0.63202400  0.64845100  0.62447600  1.0
  N  N22  1  0.86797600  0.14845100  0.87552400  1.0
  N  N23  1  0.63202400  0.85154900  0.87552400  1.0
  N  N24  1  0.13202400  0.64845100  0.37552400  1.0
  N  N25  1  0.36797600  0.35154900  0.37552400  1.0
  N  N26  1  0.13202400  0.85154900  0.12447600  1.0
  N  N27  1  0.36797600  0.14845100  0.12447600  1.0
  N  N28  1  0.50695800  0.41170200  0.83725000  1.0
  N  N29  1  0.99304200  0.58829800  0.83725000  1.0
  N  N30  1  0.50695800  0.08829800  0.66275000  1.0
  N  N31  1  0.99304200  0.91170200  0.66275000  1.0
  N  N32  1  0.49304200  0.58829800  0.16275000  1.0
  N  N33  1  0.00695800  0.41170200  0.16275000  1.0
  N  N34  1  0.49304200  0.91170200  0.33725000  1.0
  N  N35  1  0.00695800  0.08829800  0.33725000  1.0