# generated using pymatgen
data_Cs2LiCr(CN)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.66881600
_cell_length_b   7.66881600
_cell_length_c   10.87448500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cs2LiCr(CN)6
_chemical_formula_sum   'Cs4 Li2 Cr2 C12 N12'
_cell_volume   639.53649737
_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
  Cs  Cs0  1  0.50000000  0.00000000  0.25000000  1
  Cs  Cs1  1  0.00000000  0.50000000  0.25000000  1
  Cs  Cs2  1  0.50000000  0.00000000  0.75000000  1
  Cs  Cs3  1  0.00000000  0.50000000  0.75000000  1
  Li  Li4  1  0.00000000  0.00000000  0.50000000  1
  Li  Li5  1  0.50000000  0.50000000  0.00000000  1
  Cr  Cr6  1  0.00000000  0.00000000  0.00000000  1
  Cr  Cr7  1  0.50000000  0.50000000  0.50000000  1
  C  C8  1  0.83672500  0.79012000  0.00000000  1
  C  C9  1  0.00000000  0.00000000  0.81241700  1
  C  C10  1  0.66327500  0.29012000  0.50000000  1
  C  C11  1  0.00000000  0.00000000  0.18758300  1
  C  C12  1  0.33672500  0.70988000  0.50000000  1
  C  C13  1  0.79012000  0.16327500  0.00000000  1
  C  C14  1  0.50000000  0.50000000  0.31241700  1
  C  C15  1  0.50000000  0.50000000  0.68758300  1
  C  C16  1  0.16327500  0.20988000  0.00000000  1
  C  C17  1  0.70988000  0.66327500  0.50000000  1
  C  C18  1  0.29012000  0.33672500  0.50000000  1
  C  C19  1  0.20988000  0.83672500  0.00000000  1
  N  N20  1  0.24253700  0.83093100  0.50000000  1
  N  N21  1  0.00000000  0.00000000  0.70430200  1
  N  N22  1  0.16906900  0.24253700  0.50000000  1
  N  N23  1  0.50000000  0.50000000  0.20430200  1
  N  N24  1  0.75746300  0.16906900  0.50000000  1
  N  N25  1  0.33093100  0.74253700  0.00000000  1
  N  N26  1  0.74253700  0.66906900  0.00000000  1
  N  N27  1  0.66906900  0.25746300  0.00000000  1
  N  N28  1  0.50000000  0.50000000  0.79569800  1
  N  N29  1  0.83093100  0.75746300  0.50000000  1
  N  N30  1  0.00000000  0.00000000  0.29569800  1
  N  N31  1  0.25746300  0.33093100  0.00000000  1
