# generated using pymatgen
data_Mn12O7F17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.90878200
_cell_length_b   5.57366967
_cell_length_c   16.11408316
_cell_angle_alpha   96.69044864
_cell_angle_beta   90.31131861
_cell_angle_gamma   93.35674860
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn12O7F17
_chemical_formula_sum   'Mn12 O7 F17'
_cell_volume   437.09316569
_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  0.96947400  0.89989600  0.00184500  1.0
  Mn  Mn1  1  0.50806900  0.17280800  0.16410300  1.0
  Mn  Mn2  1  0.01548100  0.00889000  0.33162000  1.0
  Mn  Mn3  1  0.51408300  0.93438000  0.51037600  1.0
  Mn  Mn4  1  0.95257700  0.93206900  0.66416500  1.0
  Mn  Mn5  1  0.45825400  0.04547600  0.81564600  1.0
  Mn  Mn6  1  0.01094200  0.60211400  0.17308300  1.0
  Mn  Mn7  1  0.52614500  0.41611200  0.00137900  1.0
  Mn  Mn8  1  0.48239100  0.39346400  0.66604300  1.0
  Mn  Mn9  1  0.91154900  0.43033400  0.53140300  1.0
  Mn  Mn10  1  0.52232600  0.53113700  0.32572900  1.0
  Mn  Mn11  1  0.00617100  0.55965300  0.83799200  1.0
  O  O12  1  0.73898800  0.16269300  0.60740300  1.0
  O  O13  1  0.25164200  0.14494000  0.71199600  1.0
  O  O14  1  0.72432700  0.39472100  0.10568100  1.0
  O  O15  1  0.32344900  0.43509700  0.22062900  1.0
  O  O16  1  0.78657000  0.61962700  0.94768500  1.0
  O  O17  1  0.71245600  0.64729400  0.61998000  1.0
  O  O18  1  0.82436100  0.70652800  0.27768600  1.0
  F  F19  1  0.75533400  0.20549300  0.27222400  1.0
  F  F20  1  0.24622600  0.15995500  0.04945600  1.0
  F  F21  1  0.25211000  0.31187700  0.37251700  1.0
  F  F22  1  0.72390700  0.10894600  0.94053100  1.0
  F  F23  1  0.28445900  0.28703700  0.54486900  1.0
  F  F24  1  0.29230500  0.35293800  0.89551900  1.0
  F  F25  1  0.71998600  0.33630400  0.77811300  1.0
  F  F26  1  0.79599900  0.12347000  0.43960200  1.0
  F  F27  1  0.20755500  0.65495300  0.06207100  1.0
  F  F28  1  0.29900200  0.83254700  0.38966500  1.0
  F  F29  1  0.26843700  0.64202200  0.73605500  1.0
  F  F30  1  0.70813900  0.61281000  0.43996500  1.0
  F  F31  1  0.73543600  0.90933500  0.10875000  1.0
  F  F32  1  0.81090500  0.85663000  0.78158000  1.0
  F  F33  1  0.17335200  0.77529000  0.56022500  1.0
  F  F34  1  0.23482200  0.85418100  0.90040200  1.0
  F  F35  1  0.25277300  0.93897600  0.21400900  1.0