# generated using pymatgen
data_Li2Mn2P2O7F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77493900
_cell_length_b   10.49500000
_cell_length_c   11.25935700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Mn2P2O7F2
_chemical_formula_sum   'Li8 Mn8 P8 O28 F8'
_cell_volume   800.57388969
_cell_formula_units_Z   4
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
  Li  Li0  1  0.51977300  0.02810900  0.78994000  1
  Li  Li1  1  0.48022700  0.47189100  0.78994000  1
  Li  Li2  1  0.98022700  0.52810900  0.71006000  1
  Li  Li3  1  0.01977300  0.97189100  0.71006000  1
  Li  Li4  1  0.98022700  0.02810900  0.28994000  1
  Li  Li5  1  0.01977300  0.47189100  0.28994000  1
  Li  Li6  1  0.51977300  0.52810900  0.21006000  1
  Li  Li7  1  0.48022700  0.97189100  0.21006000  1
  Mn  Mn8  1  0.00000000  0.00000000  0.00000000  1
  Mn  Mn9  1  0.00000000  0.50000000  0.00000000  1
  Mn  Mn10  1  0.00000000  0.25000000  0.83078800  1
  Mn  Mn11  1  0.50000000  0.75000000  0.66921200  1
  Mn  Mn12  1  0.50000000  0.50000000  0.50000000  1
  Mn  Mn13  1  0.50000000  0.00000000  0.50000000  1
  Mn  Mn14  1  0.50000000  0.25000000  0.33078800  1
  Mn  Mn15  1  0.00000000  0.75000000  0.16921200  1
  P  P16  1  0.28281300  0.74968200  0.92256300  1
  P  P17  1  0.71718700  0.75031800  0.92256300  1
  P  P18  1  0.21718700  0.24968200  0.57743700  1
  P  P19  1  0.78281300  0.25031800  0.57743700  1
  P  P20  1  0.21718700  0.74968200  0.42256300  1
  P  P21  1  0.78281300  0.75031800  0.42256300  1
  P  P22  1  0.28281300  0.24968200  0.07743700  1
  P  P23  1  0.71718700  0.25031800  0.07743700  1
  O  O24  1  0.16639700  0.32521000  0.98335800  1
  O  O25  1  0.83360300  0.17479000  0.98335800  1
  O  O26  1  0.50000000  0.75000000  0.98435500  1
  O  O27  1  0.22436100  0.60951900  0.90817400  1
  O  O28  1  0.77563900  0.89048100  0.90817400  1
  O  O29  1  0.29670100  0.82047300  0.80292800  1
  O  O30  1  0.70329900  0.67952700  0.80292800  1
  O  O31  1  0.20329900  0.32047300  0.69707200  1
  O  O32  1  0.79670100  0.17952700  0.69707200  1
  O  O33  1  0.27563900  0.10951900  0.59182600  1
  O  O34  1  0.72436100  0.39048100  0.59182600  1
  O  O35  1  0.00000000  0.25000000  0.51564500  1
  O  O36  1  0.66639700  0.67479000  0.51664200  1
  O  O37  1  0.33360300  0.82521000  0.51664200  1
  O  O38  1  0.33360300  0.32521000  0.48335800  1
  O  O39  1  0.66639700  0.17479000  0.48335800  1
  O  O40  1  0.00000000  0.75000000  0.48435500  1
  O  O41  1  0.27563900  0.60951900  0.40817400  1
  O  O42  1  0.72436100  0.89048100  0.40817400  1
  O  O43  1  0.79670100  0.67952700  0.30292800  1
  O  O44  1  0.20329900  0.82047300  0.30292800  1
  O  O45  1  0.29670100  0.32047300  0.19707200  1
  O  O46  1  0.70329900  0.17952700  0.19707200  1
  O  O47  1  0.22436100  0.10951900  0.09182600  1
  O  O48  1  0.77563900  0.39048100  0.09182600  1
  O  O49  1  0.50000000  0.25000000  0.01564500  1
  O  O50  1  0.16639700  0.82521000  0.01664200  1
  O  O51  1  0.83360300  0.67479000  0.01664200  1
  F  F52  1  0.12810600  0.06377700  0.83402400  1
  F  F53  1  0.87189400  0.43622300  0.83402400  1
  F  F54  1  0.37189400  0.56377700  0.66597600  1
  F  F55  1  0.62810600  0.93622300  0.66597600  1
  F  F56  1  0.37189400  0.06377700  0.33402400  1
  F  F57  1  0.62810600  0.43622300  0.33402400  1
  F  F58  1  0.12810600  0.56377700  0.16597600  1
  F  F59  1  0.87189400  0.93622300  0.16597600  1
