# generated using pymatgen
data_Mn12O5F19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87351300
_cell_length_b   5.86320009
_cell_length_c   15.90478142
_cell_angle_alpha   89.25831614
_cell_angle_beta   89.50600057
_cell_angle_gamma   89.36853364
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn12O5F19
_chemical_formula_sum   'Mn12 O5 F19'
_cell_volume   454.38728207
_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  0.01639000  0.82487100  0.57863300  1.0
  Mn  Mn1  1  0.99439400  0.14444000  0.75323100  1.0
  Mn  Mn2  1  0.96108200  0.83019900  0.91718500  1.0
  Mn  Mn3  1  0.04215500  0.82079800  0.25197500  1.0
  Mn  Mn4  1  0.00127700  0.14155100  0.41163800  1.0
  Mn  Mn5  1  0.00268900  0.16106800  0.08457700  1.0
  Mn  Mn6  1  0.46972900  0.66408300  0.41834500  1.0
  Mn  Mn7  1  0.50275600  0.66788700  0.08246600  1.0
  Mn  Mn8  1  0.52292800  0.68217700  0.75426600  1.0
  Mn  Mn9  1  0.50514200  0.35591600  0.91900000  1.0
  Mn  Mn10  1  0.48890000  0.35126700  0.58143900  1.0
  Mn  Mn11  1  0.49641300  0.35692800  0.24724400  1.0
  O  O12  1  0.21736000  0.86936400  0.36055300  1.0
  O  O13  1  0.28226900  0.61378100  0.52260800  1.0
  O  O14  1  0.29996000  0.61984300  0.19226700  1.0
  O  O15  1  0.70418900  0.62622300  0.97367100  1.0
  O  O16  1  0.78485700  0.89306300  0.81105900  1.0
  F  F17  1  0.23891400  0.89243000  0.69130100  1.0
  F  F18  1  0.20746000  0.87378100  0.02282700  1.0
  F  F19  1  0.22643000  0.11031500  0.86933400  1.0
  F  F20  1  0.22682300  0.11481800  0.52651100  1.0
  F  F21  1  0.24816700  0.11176500  0.19144000  1.0
  F  F22  1  0.26006600  0.61052600  0.85825400  1.0
  F  F23  1  0.26623200  0.38346700  0.69838800  1.0
  F  F24  1  0.26459100  0.37632800  0.35578800  1.0
  F  F25  1  0.27068000  0.39325500  0.03053900  1.0
  F  F26  1  0.73471100  0.38921900  0.80531900  1.0
  F  F27  1  0.73913600  0.60505500  0.64012600  1.0
  F  F28  1  0.72470800  0.39168900  0.46462900  1.0
  F  F29  1  0.73472200  0.39457800  0.13960200  1.0
  F  F30  1  0.71636400  0.62387200  0.31451900  1.0
  F  F31  1  0.75855900  0.89267100  0.47414100  1.0
  F  F32  1  0.76822400  0.10764900  0.63637700  1.0
  F  F33  1  0.75373500  0.11631600  0.97923100  1.0
  F  F34  1  0.79381000  0.87183200  0.14526300  1.0
  F  F35  1  0.77417800  0.11697400  0.29625200  1.0