# generated using pymatgen
data_Cs2LiCr(CN)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.67663400
_cell_length_b   7.65155800
_cell_length_c   13.28706463
_cell_angle_alpha   54.94683671
_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   638.89845030
_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  0.00718100  0.75090600  0.74960700  1
  Cs  Cs1  1  0.50718100  0.24909400  0.75039300  1
  Cs  Cs2  1  0.99281900  0.24909400  0.25039300  1
  Cs  Cs3  1  0.49281900  0.75090600  0.24960700  1
  Li  Li4  1  0.00000000  0.50000000  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  0.00000000  0.50000000  1
  C  C8  1  0.20731500  0.83393600  0.99984400  1
  C  C9  1  0.70731500  0.16606400  0.50015600  1
  C  C10  1  0.79268500  0.16606400  0.00015600  1
  C  C11  1  0.29268500  0.83393600  0.49984400  1
  C  C12  1  0.16607000  0.20658400  0.00116400  1
  C  C13  1  0.66607000  0.79341600  0.49883600  1
  C  C14  1  0.83393000  0.79341600  0.99883600  1
  C  C15  1  0.33393000  0.20658400  0.50116400  1
  C  C16  1  0.00037400  0.81191400  0.18731200  1
  C  C17  1  0.50037400  0.18808600  0.31268800  1
  C  C18  1  0.99962600  0.18808600  0.81268800  1
  C  C19  1  0.49962600  0.81191400  0.68731200  1
  N  N20  1  0.32715400  0.73799400  0.00011500  1
  N  N21  1  0.82715400  0.26200600  0.49988500  1
  N  N22  1  0.67284600  0.26200600  0.99988500  1
  N  N23  1  0.17284600  0.73799400  0.50011500  1
  N  N24  1  0.26231400  0.32522500  0.00210400  1
  N  N25  1  0.76231400  0.67477500  0.49789600  1
  N  N26  1  0.73768600  0.67477500  0.99789600  1
  N  N27  1  0.23768600  0.32522500  0.50210400  1
  N  N28  1  0.99779100  0.29712800  0.70461200  1
  N  N29  1  0.49779100  0.70287200  0.79538800  1
  N  N30  1  0.00220900  0.70287200  0.29538800  1
  N  N31  1  0.50220900  0.29712800  0.20461200  1
