# generated using pymatgen
data_Mn12O5F19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85909600
_cell_length_b   5.86007708
_cell_length_c   15.91089523
_cell_angle_alpha   90.21032199
_cell_angle_beta   90.23930065
_cell_angle_gamma   90.98166043
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn12O5F19
_chemical_formula_sum   'Mn12 O5 F19'
_cell_volume   452.98398487
_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  0.99363600  0.17501500  0.40570700  1.0
  Mn  Mn1  1  0.01877500  0.85314300  0.24809800  1.0
  Mn  Mn2  1  0.97312200  0.19017500  0.07824800  1.0
  Mn  Mn3  1  0.03581000  0.17094600  0.75051300  1.0
  Mn  Mn4  1  0.01034300  0.85995800  0.58564900  1.0
  Mn  Mn5  1  0.99897100  0.83615200  0.91827000  1.0
  Mn  Mn6  1  0.48808300  0.31702800  0.58664700  1.0
  Mn  Mn7  1  0.50007500  0.34234600  0.91451100  1.0
  Mn  Mn8  1  0.49663100  0.32555300  0.26079000  1.0
  Mn  Mn9  1  0.51158500  0.64078000  0.08286900  1.0
  Mn  Mn10  1  0.51456000  0.64857100  0.41773800  1.0
  Mn  Mn11  1  0.48881000  0.64754700  0.75002400  1.0
  O  O12  1  0.21421900  0.12509300  0.30556400  1.0
  O  O13  1  0.21662200  0.10905900  0.64441500  1.0
  O  O14  1  0.29611300  0.37612300  0.80816500  1.0
  O  O15  1  0.70170000  0.39235500  0.01982400  1.0
  O  O16  1  0.71411200  0.37684700  0.36178300  1.0
  F  F17  1  0.23453000  0.11831000  0.97172200  1.0
  F  F18  1  0.23713700  0.87771700  0.13251400  1.0
  F  F19  1  0.22972700  0.89886300  0.46957300  1.0
  F  F20  1  0.23850200  0.87999100  0.80986200  1.0
  F  F21  1  0.27246000  0.37897100  0.14913900  1.0
  F  F22  1  0.26628000  0.62000100  0.30756600  1.0
  F  F23  1  0.26189400  0.39401700  0.47603300  1.0
  F  F24  1  0.26531100  0.61171300  0.63722100  1.0
  F  F25  1  0.26075500  0.60668000  0.97471100  1.0
  F  F26  1  0.73334000  0.59836900  0.19776100  1.0
  F  F27  1  0.73712000  0.62004700  0.53409800  1.0
  F  F28  1  0.72840200  0.60785300  0.86082600  1.0
  F  F29  1  0.73887100  0.39073400  0.69196100  1.0
  F  F30  1  0.76058200  0.10500800  0.19066000  1.0
  F  F31  1  0.77569700  0.11722200  0.51765600  1.0
  F  F32  1  0.76569300  0.88021100  0.35712600  1.0
  F  F33  1  0.76249800  0.89267300  0.02746300  1.0
  F  F34  1  0.79037200  0.12264700  0.85598800  1.0
  F  F35  1  0.76766600  0.89227500  0.69930700  1.0