# generated using pymatgen
data_Cs2FeF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99802236
_cell_length_b   7.83681850
_cell_length_c   12.60603936
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cs2FeF5
_chemical_formula_sum   'Cs8 Fe4 F20'
_cell_volume   592.55208130
_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
  Cs  Cs0  1  0.75000000  0.48906019  0.72493110  1.0
  Cs  Cs1  1  0.25000000  0.51093981  0.27506890  1.0
  Cs  Cs2  1  0.25000000  0.01093981  0.22493110  1.0
  Cs  Cs3  1  0.75000000  0.98906019  0.77506890  1.0
  Cs  Cs4  1  0.75000000  0.15103822  0.41545684  1.0
  Cs  Cs5  1  0.25000000  0.84896178  0.58454316  1.0
  Cs  Cs6  1  0.25000000  0.34896178  0.91545684  1.0
  Cs  Cs7  1  0.75000000  0.65103822  0.08454316  1.0
  Fe  Fe8  1  0.75000000  0.15476163  0.06230837  1.0
  Fe  Fe9  1  0.25000000  0.84523837  0.93769163  1.0
  Fe  Fe10  1  0.25000000  0.34523837  0.56230837  1.0
  Fe  Fe11  1  0.75000000  0.65476163  0.43769163  1.0
  F  F12  1  0.75000000  0.27574498  0.92892552  1.0
  F  F13  1  0.25000000  0.72425502  0.07107448  1.0
  F  F14  1  0.25000000  0.22425502  0.42892552  1.0
  F  F15  1  0.75000000  0.77574498  0.57107448  1.0
  F  F16  1  0.52034561  0.29669608  0.11710802  1.0
  F  F17  1  0.47965439  0.70330392  0.88289198  1.0
  F  F18  1  0.47965439  0.20330392  0.61710802  1.0
  F  F19  1  0.02034561  0.70330392  0.88289198  1.0
  F  F20  1  0.52034561  0.79669608  0.38289198  1.0
  F  F21  1  0.97965439  0.29669608  0.11710802  1.0
  F  F22  1  0.97965439  0.79669608  0.38289198  1.0
  F  F23  1  0.02034561  0.20330392  0.61710802  1.0
  F  F24  1  0.50000000  -0.00000000  -0.00000000  1.0
  F  F25  1  0.50000000  0.50000000  0.50000000  1.0
  F  F26  1  0.00000000  -0.00000000  -0.00000000  1.0
  F  F27  1  0.00000000  0.50000000  0.50000000  1.0
  F  F28  1  0.75000000  0.00886512  0.18223894  1.0
  F  F29  1  0.25000000  0.99113488  0.81776106  1.0
  F  F30  1  0.25000000  0.49113488  0.68223894  1.0
  F  F31  1  0.75000000  0.50886512  0.31776106  1.0