# generated using pymatgen
data_Li6Ca3MnC6(O9F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71847300
_cell_length_b   7.73282490
_cell_length_c   8.66076525
_cell_angle_alpha   64.13604079
_cell_angle_beta   84.70118245
_cell_angle_gamma   78.11630130
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6Ca3MnC6(O9F)2
_chemical_formula_sum   'Li6 Ca3 Mn1 C6 O18 F2'
_cell_volume   396.20111260
_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
  Li  Li0  1  0.51721000  0.43777500  0.32184000  1
  Li  Li1  1  0.68883200  0.04942000  0.76806700  1
  Li  Li2  1  0.18107500  0.04892400  0.78558700  1
  Li  Li3  1  0.02357900  0.76997500  0.66267800  1
  Li  Li4  1  0.67757700  0.83996600  0.21604500  1
  Li  Li5  1  0.18275200  0.82089300  0.22845600  1
  Ca  Ca6  1  0.02236100  0.38261800  0.36816300  1
  Ca  Ca7  1  0.84651300  0.27653800  0.02403500  1
  Ca  Ca8  1  0.34702700  0.30950100  0.96824700  1
  Mn  Mn9  1  0.52598800  0.75560400  0.63189700  1
  C  C10  1  0.99321000  0.68542800  0.00340700  1
  C  C11  1  0.80007800  0.05092300  0.39507100  1
  C  C12  1  0.31372600  0.05838900  0.38423200  1
  C  C13  1  0.49328500  0.68656100  0.99560100  1
  C  C14  1  0.80266700  0.44083300  0.62087800  1
  C  C15  1  0.30911200  0.45583700  0.60431600  1
  O  O16  1  0.96626700  0.70377300  0.14613600  1
  O  O17  1  0.47664500  0.70774500  0.13577100  1
  O  O18  1  0.25308700  0.52397000  0.44678700  1
  O  O19  1  0.90477100  0.26463700  0.66565600  1
  O  O20  1  0.38110800  0.27322900  0.69380700  1
  O  O21  1  0.53757900  0.51135700  0.00171500  1
  O  O22  1  0.77423600  0.24285700  0.31687400  1
  O  O23  1  0.98146200  0.83560800  0.85708200  1
  O  O24  1  0.31207500  0.23535500  0.26716800  1
  O  O25  1  0.73899900  0.96638100  0.55303400  1
  O  O26  1  0.20657400  0.03055500  0.52368700  1
  O  O27  1  0.46613000  0.83740000  0.84579600  1
  O  O28  1  0.88602600  0.95315100  0.31140000  1
  O  O29  1  0.42170800  0.91062700  0.36299800  1
  O  O30  1  0.03390000  0.50769100  0.01177500  1
  O  O31  1  0.78780900  0.52215300  0.72693800  1
  O  O32  1  0.28971500  0.57456700  0.68054400  1
  O  O33  1  0.71773600  0.53863900  0.47129600  1
  F  F34  1  0.14800200  0.09281500  0.00796300  1
  F  F35  1  0.64239700  0.09786600  0.99505700  1
