# generated using pymatgen
data_LiMnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.46504200
_cell_length_b   6.63198800
_cell_length_c   9.10899188
_cell_angle_alpha   77.74222896
_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   499.72106097
_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  0.08173100  0.77589900  0.75756900  1
  Li  Li1  1  0.41826900  0.77589900  0.75756900  1
  Li  Li2  1  0.58173100  0.22410100  0.24243100  1
  Li  Li3  1  0.91826900  0.22410100  0.24243100  1
  Mn  Mn4  1  0.56640800  0.25210100  0.75091400  1
  Mn  Mn5  1  0.93359200  0.25210100  0.75091400  1
  Mn  Mn6  1  0.06640800  0.74789900  0.24908600  1
  Mn  Mn7  1  0.43359200  0.74789900  0.24908600  1
  P  P8  1  0.25000000  0.49855500  0.05303400  1
  P  P9  1  0.75000000  0.93533900  0.02864300  1
  P  P10  1  0.75000000  0.58154000  0.46684700  1
  P  P11  1  0.25000000  0.99541600  0.44694400  1
  P  P12  1  0.75000000  0.50144500  0.94696600  1
  P  P13  1  0.25000000  0.06466100  0.97135700  1
  P  P14  1  0.75000000  0.00458400  0.55305600  1
  P  P15  1  0.25000000  0.41846000  0.53315300  1
  O  O16  1  0.09998300  0.41048300  0.62600700  1
  O  O17  1  0.09600100  0.51888200  0.14442700  1
  O  O18  1  0.25000000  0.25555000  0.05372900  1
  O  O19  1  0.25000000  0.87917400  0.11395200  1
  O  O20  1  0.59600100  0.48111800  0.85557300  1
  O  O21  1  0.90399900  0.48111800  0.85557300  1
  O  O22  1  0.75000000  0.74445000  0.94627100  1
  O  O23  1  0.75000000  0.12082600  0.88604800  1
  O  O24  1  0.10046400  0.05938900  0.88216000  1
  O  O25  1  0.39953600  0.05938900  0.88216000  1
  O  O26  1  0.25000000  0.62362300  0.89471400  1
  O  O27  1  0.40399900  0.51888200  0.14442700  1
  O  O28  1  0.40001700  0.41048300  0.62600700  1
  O  O29  1  0.75000000  0.39087000  0.59725100  1
  O  O30  1  0.59561100  0.02627700  0.64393800  1
  O  O31  1  0.90438900  0.02627700  0.64393800  1
  O  O32  1  0.25000000  0.87831200  0.60740100  1
  O  O33  1  0.75000000  0.76178600  0.55952900  1
  O  O34  1  0.89953600  0.94061100  0.11784000  1
  O  O35  1  0.75000000  0.12168800  0.39259900  1
  O  O36  1  0.09561100  0.97372300  0.35606200  1
  O  O37  1  0.40438900  0.97372300  0.35606200  1
  O  O38  1  0.25000000  0.60913000  0.40274900  1
  O  O39  1  0.59998300  0.58951700  0.37399300  1
  O  O40  1  0.90001700  0.58951700  0.37399300  1
  O  O41  1  0.75000000  0.37637700  0.10528600  1
  O  O42  1  0.60046400  0.94061100  0.11784000  1
  O  O43  1  0.25000000  0.23821400  0.44047100  1
