# generated using pymatgen
data_LiMn3P3(HO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.73116577
_cell_length_b   8.73116577
_cell_length_c   6.68574599
_cell_angle_alpha   72.98927981
_cell_angle_beta   72.98927981
_cell_angle_gamma   92.44433844
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMn3P3(HO6)2
_chemical_formula_sum   'Li2 Mn6 P6 H4 O24'
_cell_volume   461.44953210
_cell_formula_units_Z   2
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  0.99531300  0.00468700  0.75000000  1
  Li  Li1  1  0.00468700  0.99531300  0.25000000  1
  Mn  Mn2  1  0.95495800  0.63331900  0.62024300  1
  Mn  Mn3  1  0.63331900  0.95495800  0.12024300  1
  Mn  Mn4  1  0.28980500  0.71019500  0.75000000  1
  Mn  Mn5  1  0.71019500  0.28980500  0.25000000  1
  Mn  Mn6  1  0.36668100  0.04504200  0.87975700  1
  Mn  Mn7  1  0.04504200  0.36668100  0.37975700  1
  P  P8  1  0.68435000  0.90223900  0.60364800  1
  P  P9  1  0.90223900  0.68435000  0.10364800  1
  P  P10  1  0.67644900  0.32355100  0.75000000  1
  P  P11  1  0.32355100  0.67644900  0.25000000  1
  P  P12  1  0.09776100  0.31565000  0.89635200  1
  P  P13  1  0.31565000  0.09776100  0.39635200  1
  H  H14  1  0.62660200  0.62751300  0.68728600  1
  H  H15  1  0.62751300  0.62660200  0.18728600  1
  H  H16  1  0.37248700  0.37339800  0.81271400  1
  H  H17  1  0.37339800  0.37248700  0.31271400  1
  O  O18  1  0.86158200  0.86884200  0.57438300  1
  O  O19  1  0.61597100  0.96516900  0.79852300  1
  O  O20  1  0.86884200  0.86158200  0.07438300  1
  O  O21  1  0.96516900  0.61597100  0.29852300  1
  O  O22  1  0.32151000  0.97685900  0.61481200  1
  O  O23  1  0.57142000  0.73820600  0.64686600  1
  O  O24  1  0.71187900  0.50336900  0.73677100  1
  O  O25  1  0.70915900  0.21684400  0.96043700  1
  O  O26  1  0.97685900  0.32151000  0.11481200  1
  O  O27  1  0.73820600  0.57142000  0.14686600  1
  O  O28  1  0.50336900  0.71187900  0.23677100  1
  O  O29  1  0.78315600  0.29084100  0.53956300  1
  O  O30  1  0.21684400  0.70915900  0.46043700  1
  O  O31  1  0.49663100  0.28812100  0.76322900  1
  O  O32  1  0.26179400  0.42858000  0.85313400  1
  O  O33  1  0.02314100  0.67849000  0.88518800  1
  O  O34  1  0.29084100  0.78315600  0.03956300  1
  O  O35  1  0.28812100  0.49663100  0.26322900  1
  O  O36  1  0.42858000  0.26179400  0.35313400  1
  O  O37  1  0.67849000  0.02314100  0.38518800  1
  O  O38  1  0.03483100  0.38402900  0.70147700  1
  O  O39  1  0.13115800  0.13841800  0.92561700  1
  O  O40  1  0.38402900  0.03483100  0.20147700  1
  O  O41  1  0.13841800  0.13115800  0.42561700  1
