# generated using pymatgen
data_Li3Mn2P2(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12094500
_cell_length_b   13.09264800
_cell_length_c   13.21546327
_cell_angle_alpha   60.31340962
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Mn2P2(O4F)2
_chemical_formula_sum   'Li12 Mn8 P8 O32 F8'
_cell_volume   769.75680604
_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  0.47853600  0.15186200  0.17647000  1
  Li  Li1  1  0.01173200  0.07467400  0.34567700  1
  Li  Li2  1  0.52146400  0.15186200  0.67647000  1
  Li  Li3  1  0.98826800  0.07467400  0.84567700  1
  Li  Li4  1  0.52708600  0.41212400  0.40618700  1
  Li  Li5  1  0.01599000  0.57297200  0.09016200  1
  Li  Li6  1  0.52183500  0.65059600  0.16875700  1
  Li  Li7  1  0.47291400  0.41212400  0.90618700  1
  Li  Li8  1  0.98401000  0.57297200  0.59016200  1
  Li  Li9  1  0.47816500  0.65059600  0.66875700  1
  Li  Li10  1  0.52170800  0.90406000  0.18196900  1
  Li  Li11  1  0.47829200  0.90406000  0.68196900  1
  Mn  Mn12  1  0.97906100  0.07095200  0.10844500  1
  Mn  Mn13  1  0.02093900  0.07095200  0.60844500  1
  Mn  Mn14  1  0.47589000  0.41573700  0.17625900  1
  Mn  Mn15  1  0.96751800  0.57374400  0.32114900  1
  Mn  Mn16  1  0.52411000  0.41573700  0.67625900  1
  Mn  Mn17  1  0.03248200  0.57374400  0.82114900  1
  Mn  Mn18  1  0.48146900  0.92081500  0.40321700  1
  Mn  Mn19  1  0.51853100  0.92081500  0.90321700  1
  P  P20  1  0.51710900  0.16113900  0.42287000  1
  P  P21  1  0.96593900  0.34010800  0.07330200  1
  P  P22  1  0.48289100  0.16113900  0.92287000  1
  P  P23  1  0.03406100  0.34010800  0.57330200  1
  P  P24  1  0.47432900  0.66012100  0.42020500  1
  P  P25  1  0.03111500  0.84142400  0.08223900  1
  P  P26  1  0.52567100  0.66012100  0.92020500  1
  P  P27  1  0.96888500  0.84142400  0.58223900  1
  O  O28  1  0.62601200  0.11733500  0.04324700  1
  O  O29  1  0.07088900  0.21165700  0.12164200  1
  O  O30  1  0.38717700  0.10611500  0.35510400  1
  O  O31  1  0.80546000  0.11930400  0.45046900  1
  O  O32  1  0.37398800  0.11733500  0.54324700  1
  O  O33  1  0.66226800  0.34035100  0.07982300  1
  O  O34  1  0.08536000  0.39165200  0.14471600  1
  O  O35  1  0.49659800  0.29575800  0.35405900  1
  O  O36  1  0.92911100  0.21165700  0.62164200  1
  O  O37  1  0.61282300  0.10611500  0.85510400  1
  O  O38  1  0.19454000  0.11930400  0.95046900  1
  O  O39  1  0.93383800  0.40985000  0.44494300  1
  O  O40  1  0.33773200  0.34035100  0.57982300  1
  O  O41  1  0.40605500  0.60703200  0.04368000  1
  O  O42  1  0.91464000  0.39165200  0.64471600  1
  O  O43  1  0.50340200  0.29575800  0.85405900  1
  O  O44  1  0.93665200  0.71139800  0.15897200  1
  O  O45  1  0.61257200  0.60345400  0.35279200  1
  O  O46  1  0.06616200  0.40985000  0.94494300  1
  O  O47  1  0.18121000  0.62619400  0.42822700  1
  O  O48  1  0.59394500  0.60703200  0.54368000  1
  O  O49  1  0.33551400  0.84517800  0.07915900  1
  O  O50  1  0.91356500  0.91045900  0.14064700  1
  O  O51  1  0.51759900  0.79350000  0.35163400  1
  O  O52  1  0.06334800  0.71139800  0.65897200  1
  O  O53  1  0.38742800  0.60345400  0.85279200  1
  O  O54  1  0.81879000  0.62619400  0.92822700  1
  O  O55  1  0.08223900  0.89060100  0.45952700  1
  O  O56  1  0.66448600  0.84517800  0.57915900  1
  O  O57  1  0.08643500  0.91045900  0.64064700  1
  O  O58  1  0.48240100  0.79350000  0.85163400  1
  O  O59  1  0.91776100  0.89060100  0.95952700  1
  F  F60  1  0.75790500  0.03028700  0.26767600  1
  F  F61  1  0.24209500  0.03028700  0.76767600  1
  F  F62  1  0.75149100  0.50945100  0.21736900  1
  F  F63  1  0.25972600  0.52445700  0.26478700  1
  F  F64  1  0.24850900  0.50945100  0.71736900  1
  F  F65  1  0.74027400  0.52445700  0.76478700  1
  F  F66  1  0.27364200  0.00437200  0.21485500  1
  F  F67  1  0.72635800  0.00437200  0.71485500  1
