# generated using pymatgen
data_Mn12O5F19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87664600
_cell_length_b   5.84058767
_cell_length_c   15.90876608
_cell_angle_alpha   89.48107224
_cell_angle_beta   89.96178424
_cell_angle_gamma   87.50433870
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn12O5F19
_chemical_formula_sum   'Mn12 O5 F19'
_cell_volume   452.67272865
_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
  Mn  Mn0  1  0.98386500  0.16728400  0.41514800  1.0
  Mn  Mn1  1  0.01833400  0.83802100  0.23820000  1.0
  Mn  Mn2  1  0.99535500  0.16262600  0.07880700  1.0
  Mn  Mn3  1  0.04916200  0.19578800  0.75645500  1.0
  Mn  Mn4  1  0.01114200  0.81785700  0.59110800  1.0
  Mn  Mn5  1  0.98805900  0.83779300  0.91529000  1.0
  Mn  Mn6  1  0.49104200  0.34227800  0.58649300  1.0
  Mn  Mn7  1  0.50815500  0.35400100  0.92005600  1.0
  Mn  Mn8  1  0.51164200  0.33123300  0.25652100  1.0
  Mn  Mn9  1  0.48887700  0.65497500  0.08414800  1.0
  Mn  Mn10  1  0.51630400  0.65002200  0.41322900  1.0
  Mn  Mn11  1  0.48596300  0.63896300  0.74888000  1.0
  O  O12  1  0.22305200  0.88522400  0.12975600  1.0
  O  O13  1  0.28547300  0.59317300  0.64696600  1.0
  O  O14  1  0.30598300  0.40552200  0.81335400  1.0
  O  O15  1  0.70854000  0.39175200  0.02731100  1.0
  O  O16  1  0.71678600  0.39836800  0.36662200  1.0
  F  F17  1  0.21987400  0.11057800  0.30545700  1.0
  F  F18  1  0.23102900  0.09727800  0.63875800  1.0
  F  F19  1  0.21991600  0.12157600  0.96920900  1.0
  F  F20  1  0.24022900  0.88227000  0.46837500  1.0
  F  F21  1  0.23630100  0.89816800  0.80862100  1.0
  F  F22  1  0.25911100  0.39051900  0.14454400  1.0
  F  F23  1  0.26868500  0.62011500  0.30910200  1.0
  F  F24  1  0.26249100  0.39185400  0.47574700  1.0
  F  F25  1  0.26606300  0.61127500  0.97440800  1.0
  F  F26  1  0.71954800  0.61630900  0.19255300  1.0
  F  F27  1  0.73233400  0.61397500  0.52495700  1.0
  F  F28  1  0.72627400  0.62367600  0.85293400  1.0
  F  F29  1  0.75497000  0.37133300  0.68833200  1.0
  F  F30  1  0.77291600  0.11505600  0.18864500  1.0
  F  F31  1  0.76575300  0.10471200  0.53141900  1.0
  F  F32  1  0.77243100  0.88816300  0.35282400  1.0
  F  F33  1  0.74589500  0.88889700  0.02469500  1.0
  F  F34  1  0.77096800  0.12880600  0.86192600  1.0
  F  F35  1  0.74748000  0.86055600  0.69914800  1.0