# generated using pymatgen
data_LiMnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.07030300
_cell_length_b   6.95283000
_cell_length_c   9.68128361
_cell_angle_alpha   67.62749931
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnP2O7
_chemical_formula_sum   'Li4 Mn4 P8 O28'
_cell_volume   502.34118855
_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  0.12950700  0.79267600  0.02378300  1
  Li  Li1  1  0.37049300  0.79267600  0.52378300  1
  Li  Li2  1  0.62950700  0.20732400  0.47621700  1
  Li  Li3  1  0.87049300  0.20732400  0.97621700  1
  Mn  Mn4  1  0.76452000  0.72402500  0.49576200  1
  Mn  Mn5  1  0.73548000  0.72402500  0.99576200  1
  Mn  Mn6  1  0.26452000  0.27597500  0.00423800  1
  Mn  Mn7  1  0.23548000  0.27597500  0.50423800  1
  P  P8  1  0.46133900  0.04718100  0.79705600  1
  P  P9  1  0.03866100  0.04718100  0.29705600  1
  P  P10  1  0.58177900  0.45367300  0.80005700  1
  P  P11  1  0.08177900  0.54632700  0.69994300  1
  P  P12  1  0.53866100  0.95281900  0.20294400  1
  P  P13  1  0.96133900  0.95281900  0.70294400  1
  P  P14  1  0.91822100  0.45367300  0.30005700  1
  P  P15  1  0.41822100  0.54632700  0.19994300  1
  O  O16  1  0.91875000  0.61292800  0.13573000  1
  O  O17  1  0.06486200  0.15132000  0.65079400  1
  O  O18  1  0.31724000  0.04522400  0.89808900  1
  O  O19  1  0.59482700  0.22680800  0.78807200  1
  O  O20  1  0.58625900  0.90535500  0.36925400  1
  O  O21  1  0.93513800  0.84868000  0.34920600  1
  O  O22  1  0.68276000  0.95477600  0.10191100  1
  O  O23  1  0.40517300  0.77319200  0.21192800  1
  O  O24  1  0.91374100  0.90535500  0.86925400  1
  O  O25  1  0.56486200  0.84868000  0.84920600  1
  O  O26  1  0.81724000  0.95477600  0.60191100  1
  O  O27  1  0.41374100  0.09464500  0.63074600  1
  O  O28  1  0.77174500  0.46403400  0.39492900  1
  O  O29  1  0.08846200  0.46787200  0.36427900  1
  O  O30  1  0.09482700  0.77319200  0.71192800  1
  O  O31  1  0.58846200  0.53212800  0.13572100  1
  O  O32  1  0.27174500  0.53596600  0.10507100  1
  O  O33  1  0.41875000  0.38707200  0.36427000  1
  O  O34  1  0.08625900  0.09464500  0.13074600  1
  O  O35  1  0.72825500  0.46403400  0.89492900  1
  O  O36  1  0.41153800  0.46787200  0.86427900  1
  O  O37  1  0.90517300  0.22680800  0.28807200  1
  O  O38  1  0.91153800  0.53212800  0.63572100  1
  O  O39  1  0.22825500  0.53596600  0.60507100  1
  O  O40  1  0.08125000  0.38707200  0.86427000  1
  O  O41  1  0.18276000  0.04522400  0.39808900  1
  O  O42  1  0.43513800  0.15132000  0.15079400  1
  O  O43  1  0.58125000  0.61292800  0.63573000  1
