# generated using pymatgen
data_Fe2Cu3(CN)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48102004
_cell_length_b   10.58586200
_cell_length_c   7.48102004
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2Cu3(CN)12
_chemical_formula_sum   'Fe2 Cu3 C12 N12'
_cell_volume   592.44476227
_cell_formula_units_Z   1
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
  Fe  Fe0  1  0.00000000  0.99731400  0.00000000  1.0
  Fe  Fe1  1  0.50000000  0.50268600  0.50000000  1.0
  Cu  Cu2  1  0.00000000  0.50099100  0.00000000  1.0
  Cu  Cu3  1  0.50000000  0.99900900  0.50000000  1.0
  Cu  Cu4  1  0.50000000  0.25000000  0.00000000  1.0
  C  C5  1  0.19381200  0.49963700  0.80803300  1.0
  C  C6  1  0.69196700  0.00036300  0.30618800  1.0
  C  C7  1  0.00000000  0.30666100  0.00000000  1.0
  C  C8  1  0.50000000  0.80692700  0.50000000  1.0
  C  C9  1  0.19381200  0.49963700  0.19196700  1.0
  C  C10  1  0.69196700  0.00036300  0.69381200  1.0
  C  C11  1  0.00000000  0.69307300  0.00000000  1.0
  C  C12  1  0.50000000  0.19333900  0.50000000  1.0
  C  C13  1  0.80618800  0.49963700  0.80803300  1.0
  C  C14  1  0.30803300  0.00036300  0.30618800  1.0
  C  C15  1  0.80618800  0.49963700  0.19196700  1.0
  C  C16  1  0.30803300  0.00036300  0.69381200  1.0
  N  N17  1  0.30544900  0.49762100  0.69829500  1.0
  N  N18  1  0.80170500  0.00237900  0.19455100  1.0
  N  N19  1  0.00000000  0.19589800  0.00000000  1.0
  N  N20  1  0.50000000  0.69642100  0.50000000  1.0
  N  N21  1  0.30544900  0.49762100  0.30170500  1.0
  N  N22  1  0.80170500  0.00237900  0.80544900  1.0
  N  N23  1  0.00000000  0.80357900  0.00000000  1.0
  N  N24  1  0.50000000  0.30410200  0.50000000  1.0
  N  N25  1  0.69455100  0.49762100  0.69829500  1.0
  N  N26  1  0.19829500  0.00237900  0.19455100  1.0
  N  N27  1  0.69455100  0.49762100  0.30170500  1.0
  N  N28  1  0.19829500  0.00237900  0.80544900  1.0