# generated using pymatgen
data_Mn12O7F17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79456300
_cell_length_b   5.77747807
_cell_length_c   15.86714877
_cell_angle_alpha   89.90456670
_cell_angle_beta   89.53536794
_cell_angle_gamma   86.92250637
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn12O7F17
_chemical_formula_sum   'Mn12 O7 F17'
_cell_volume   438.87904293
_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  0.99462200  0.15584600  0.41607800  1.0
  Mn  Mn1  1  0.02101200  0.83490500  0.23909200  1.0
  Mn  Mn2  1  0.99944400  0.15740400  0.07955400  1.0
  Mn  Mn3  1  0.07047900  0.16731100  0.75120300  1.0
  Mn  Mn4  1  0.01147600  0.85035300  0.58102600  1.0
  Mn  Mn5  1  0.01582600  0.84523000  0.90863500  1.0
  Mn  Mn6  1  0.47283000  0.31145000  0.58922200  1.0
  Mn  Mn7  1  0.51456900  0.35181400  0.91879500  1.0
  Mn  Mn8  1  0.52008600  0.33853200  0.26106400  1.0
  Mn  Mn9  1  0.49560100  0.65195300  0.08287300  1.0
  Mn  Mn10  1  0.50490900  0.66232500  0.42197300  1.0
  Mn  Mn11  1  0.48776400  0.65201600  0.75353900  1.0
  O  O12  1  0.20140600  0.09292300  0.64043000  1.0
  O  O13  1  0.22696500  0.88562700  0.12934700  1.0
  O  O14  1  0.21564100  0.89609500  0.47031200  1.0
  O  O15  1  0.23754300  0.88964300  0.80262100  1.0
  O  O16  1  0.30420400  0.40073200  0.81293800  1.0
  O  O17  1  0.71080300  0.38284400  0.02840200  1.0
  O  O18  1  0.72796400  0.38697600  0.36937100  1.0
  F  F19  1  0.21701800  0.11732800  0.30616900  1.0
  F  F20  1  0.22996700  0.12393500  0.96918800  1.0
  F  F21  1  0.26078800  0.38821600  0.14949800  1.0
  F  F22  1  0.27584700  0.62009300  0.31155700  1.0
  F  F23  1  0.25099900  0.39487000  0.47507900  1.0
  F  F24  1  0.25495500  0.59300800  0.64163100  1.0
  F  F25  1  0.26399400  0.61484900  0.97697400  1.0
  F  F26  1  0.71973000  0.61498000  0.19189200  1.0
  F  F27  1  0.72903500  0.62320900  0.53337300  1.0
  F  F28  1  0.74013600  0.61542600  0.86487800  1.0
  F  F29  1  0.74482500  0.38293500  0.70047600  1.0
  F  F30  1  0.76928400  0.11591900  0.18885100  1.0
  F  F31  1  0.75156800  0.11524700  0.52000700  1.0
  F  F32  1  0.76304000  0.88838100  0.35141300  1.0
  F  F33  1  0.76263100  0.88611400  0.01784500  1.0
  F  F34  1  0.79095600  0.13108900  0.85494300  1.0
  F  F35  1  0.74208400  0.86042000  0.68975000  1.0