# generated using pymatgen
data_Cr(CN)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.98271400
_cell_length_b   6.98031463
_cell_length_c   12.41129800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.01137127
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr(CN)3
_chemical_formula_sum   'Cr4 C12 N12'
_cell_volume   523.83837817
_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
  Cr  Cr0  1  0.33301600  0.66603300  0.25000000  1.0
  Cr  Cr1  1  0.66698400  0.33396700  0.75000000  1.0
  Cr  Cr2  1  0.00000000  0.00000000  0.50000000  1.0
  Cr  Cr3  1  0.00000000  0.00000000  0.00000000  1.0
  C  C4  1  0.73515500  0.86763200  0.40708200  1.0
  C  C5  1  0.13247800  0.86763200  0.40708200  1.0
  C  C6  1  0.13223200  0.26446400  0.40715600  1.0
  C  C7  1  0.26484500  0.13236800  0.59291800  1.0
  C  C8  1  0.86752200  0.13236800  0.59291800  1.0
  C  C9  1  0.86776800  0.73553600  0.59284400  1.0
  C  C10  1  0.26484500  0.13236800  0.90708200  1.0
  C  C11  1  0.86752200  0.13236800  0.90708200  1.0
  C  C12  1  0.86776800  0.73553600  0.90715600  1.0
  C  C13  1  0.73515500  0.86763200  0.09291800  1.0
  C  C14  1  0.13247800  0.86763200  0.09291800  1.0
  C  C15  1  0.13223200  0.26446400  0.09284400  1.0
  N  N16  1  0.58038200  0.79025000  0.34948000  1.0
  N  N17  1  0.20986700  0.79025000  0.34948000  1.0
  N  N18  1  0.20983700  0.41967500  0.34942400  1.0
  N  N19  1  0.41961800  0.20975000  0.65052000  1.0
  N  N20  1  0.79013300  0.20975000  0.65052000  1.0
  N  N21  1  0.79016300  0.58032500  0.65057600  1.0
  N  N22  1  0.41961800  0.20975000  0.84948000  1.0
  N  N23  1  0.79013300  0.20975000  0.84948000  1.0
  N  N24  1  0.79016300  0.58032500  0.84942400  1.0
  N  N25  1  0.58038200  0.79025000  0.15052000  1.0
  N  N26  1  0.20986700  0.79025000  0.15052000  1.0
  N  N27  1  0.20983700  0.41967500  0.15057600  1.0