# generated using pymatgen
data_Ca9PrF20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.83977200
_cell_length_b   8.83493860
_cell_length_c   13.02669046
_cell_angle_alpha   101.93178954
_cell_angle_beta   90.10870497
_cell_angle_gamma   102.84802466
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca9PrF20
_chemical_formula_sum   'Ca18 Pr2 F40'
_cell_volume   859.59867556
_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
  Ca  Ca0  1  0.52178700  0.59619400  0.64965400  1.0
  Ca  Ca1  1  0.02608600  0.59549500  0.64895200  1.0
  Ca  Ca2  1  0.32747300  0.79916700  0.45322800  1.0
  Ca  Ca3  1  0.67252700  0.20083300  0.54677200  1.0
  Ca  Ca4  1  0.62424600  0.00006300  0.25012100  1.0
  Ca  Ca5  1  0.82180500  0.79846800  0.45139400  1.0
  Ca  Ca6  1  0.97391400  0.40450500  0.35104800  1.0
  Ca  Ca7  1  0.92284200  0.20279100  0.04902200  1.0
  Ca  Ca8  1  0.17819500  0.20153200  0.54860600  1.0
  Ca  Ca9  1  0.27638600  0.59557400  0.14994700  1.0
  Ca  Ca10  1  0.22875700  0.40378200  0.85134500  1.0
  Ca  Ca11  1  0.47821300  0.40380600  0.35034600  1.0
  Ca  Ca12  1  0.42727900  0.19967800  0.04638100  1.0
  Ca  Ca13  1  0.57272100  0.80032200  0.95361900  1.0
  Ca  Ca14  1  0.77124300  0.59621800  0.14865500  1.0
  Ca  Ca15  1  0.72361400  0.40442600  0.85005300  1.0
  Ca  Ca16  1  0.07715800  0.79720900  0.95097800  1.0
  Ca  Ca17  1  0.37575400  0.99993700  0.74987900  1.0
  Pr  Pr18  1  0.12685500  0.99983600  0.24972000  1.0
  Pr  Pr19  1  0.87314500  0.00016400  0.75028000  1.0
  F  F20  1  0.81026300  0.74000100  0.62416600  1.0
  F  F21  1  0.10985900  0.94283800  0.42849400  1.0
  F  F22  1  0.38705400  0.05066100  0.57536600  1.0
  F  F23  1  0.31209100  0.74865500  0.62539000  1.0
  F  F24  1  0.46240900  0.35090800  0.52455100  1.0
  F  F25  1  0.68790900  0.25134500  0.37461000  1.0
  F  F26  1  0.61294600  0.94933900  0.42463400  1.0
  F  F27  1  0.89014100  0.05716200  0.57150600  1.0
  F  F28  1  0.91038400  0.15743400  0.22395400  1.0
  F  F29  1  0.96325900  0.35123800  0.52468700  1.0
  F  F30  1  0.03674100  0.64876200  0.47531300  1.0
  F  F31  1  0.98657800  0.44924800  0.17500000  1.0
  F  F32  1  0.21364500  0.35194500  0.02482900  1.0
  F  F33  1  0.18973700  0.25999900  0.37583400  1.0
  F  F34  1  0.26296100  0.54991100  0.32528900  1.0
  F  F35  1  0.33989000  0.84085500  0.27689900  1.0
  F  F36  1  0.28795000  0.64959900  0.97552900  1.0
  F  F37  1  0.41967500  0.15973500  0.22317400  1.0
  F  F38  1  0.53759100  0.64909200  0.47544900  1.0
  F  F39  1  0.56223500  0.74933900  0.12562900  1.0
  F  F40  1  0.63804800  0.05087200  0.07550900  1.0
  F  F41  1  0.51180600  0.54941100  0.82569100  1.0
  F  F42  1  0.48819400  0.45058900  0.17430900  1.0
  F  F43  1  0.76206500  0.55029900  0.32557600  1.0
  F  F44  1  0.71205000  0.35040100  0.02447100  1.0
  F  F45  1  0.83175300  0.84205500  0.27621700  1.0
  F  F46  1  0.78635500  0.64805500  0.97517100  1.0
  F  F47  1  0.86150300  0.94261700  0.92871600  1.0
  F  F48  1  0.05943000  0.73913200  0.12399400  1.0
  F  F49  1  0.01342200  0.55075200  0.82500000  1.0
  F  F50  1  0.13849700  0.05738300  0.07128400  1.0
  F  F51  1  0.08961600  0.84256600  0.77604600  1.0
  F  F52  1  0.16824700  0.15794500  0.72378300  1.0
  F  F53  1  0.36195200  0.94912800  0.92449100  1.0
  F  F54  1  0.43776500  0.25066100  0.87437100  1.0
  F  F55  1  0.58032500  0.84026500  0.77682600  1.0
  F  F56  1  0.66011000  0.15914500  0.72310100  1.0
  F  F57  1  0.73703900  0.45008900  0.67471100  1.0
  F  F58  1  0.94057000  0.26086800  0.87600600  1.0
  F  F59  1  0.23793500  0.44970100  0.67442400  1.0