# generated using pymatgen
data_Ce2Zr3ScF22
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.30726063
_cell_length_b   8.30726134
_cell_length_c   8.35015194
_cell_angle_alpha   124.73740029
_cell_angle_beta   106.16281362
_cell_angle_gamma   98.47841655
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce2Zr3ScF22
_chemical_formula_sum   'Ce2 Zr3 Sc1 F22'
_cell_volume   419.24273772
_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
  Ce  Ce0  1  0.74914225  0.24622763  0.49261051  1.0
  Ce  Ce1  1  0.24638288  0.74346826  0.49261051  1.0
  Zr  Zr2  1  0.32406828  0.36919331  0.69326159  1.0
  Zr  Zr3  1  0.17833299  0.86833267  0.04666567  1.0
  Zr  Zr4  1  0.81377624  0.13435895  0.94813520  1.0
  Sc  Sc5  1  0.68271589  0.63739963  0.32011552  1.0
  F  F6  1  0.70576976  0.90618920  0.34780723  1.0
  F  F7  1  0.29425596  0.09753738  0.65385675  1.0
  F  F8  1  0.55631837  0.35960079  0.65385675  1.0
  F  F9  1  0.94440223  0.60184878  0.80853345  1.0
  F  F10  1  0.44161903  0.64203747  0.34780723  1.0
  F  F11  1  0.05810876  0.39284011  0.18687865  1.0
  F  F12  1  0.79403854  0.12876889  0.18687865  1.0
  F  F13  1  0.20668467  0.86413122  0.80853345  1.0
  F  F14  1  0.49952837  0.49938766  0.99891602  1.0
  F  F15  1  0.99944408  0.00159072  0.00103479  1.0
  F  F16  1  0.77902492  0.87439256  0.65341748  1.0
  F  F17  1  0.22094205  0.13112837  0.35207043  1.0
  F  F18  1  0.28051017  0.63249550  0.91300567  1.0
  F  F19  1  0.72002885  0.36873793  0.08876578  1.0
  F  F20  1  0.96060125  0.73656793  0.42122756  1.0
  F  F21  1  0.04781477  0.26236365  0.58416544  1.0
  F  F22  1  0.32180179  0.53635067  0.58416544  1.0
  F  F23  1  0.17178056  0.75703635  0.21034199  1.0
  F  F24  1  0.68466063  0.46062631  0.42122756  1.0
  F  F25  1  0.82581543  0.24775770  0.78688334  1.0
  F  F26  1  0.53912563  0.96106790  0.78688334  1.0
  F  F27  1  0.45330564  0.03856143  0.21034199  1.0