# generated using pymatgen
data_LiMnPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23660500
_cell_length_b   9.41283200
_cell_length_c   10.17571398
_cell_angle_alpha   61.63995343
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnPCO7
_chemical_formula_sum   'Li4 Mn4 P4 C4 O28'
_cell_volume   525.66159599
_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  0.03296300  0.26193900  0.74398200  1
  Li  Li1  1  0.46703700  0.26193900  0.24398200  1
  Li  Li2  1  0.53296300  0.73806100  0.75601800  1
  Li  Li3  1  0.96703700  0.73806100  0.25601800  1
  Mn  Mn4  1  0.74606200  0.32749500  0.93834900  1
  Mn  Mn5  1  0.75393800  0.32749500  0.43834900  1
  Mn  Mn6  1  0.24606200  0.67250500  0.56165100  1
  Mn  Mn7  1  0.25393800  0.67250500  0.06165100  1
  P  P8  1  0.25419800  0.42517800  0.92617200  1
  P  P9  1  0.24580200  0.42517800  0.42617200  1
  P  P10  1  0.75419800  0.57482200  0.57382800  1
  P  P11  1  0.74580200  0.57482200  0.07382800  1
  C  C12  1  0.74639100  0.04722100  0.62176700  1
  C  C13  1  0.75360900  0.04722100  0.12176700  1
  C  C14  1  0.24639100  0.95277900  0.87823300  1
  C  C15  1  0.25360900  0.95277900  0.37823300  1
  O  O16  1  0.76120800  0.10184100  0.97608100  1
  O  O17  1  0.73879200  0.10184100  0.47608100  1
  O  O18  1  0.23651700  0.09565100  0.78210700  1
  O  O19  1  0.76396800  0.17039300  0.65117900  1
  O  O20  1  0.26348300  0.09565100  0.28210700  1
  O  O21  1  0.73603200  0.17039300  0.15117900  1
  O  O22  1  0.05687200  0.32390000  0.93092500  1
  O  O23  1  0.44254300  0.31168700  0.94163600  1
  O  O24  1  0.05745700  0.31168700  0.44163600  1
  O  O25  1  0.44312800  0.32390000  0.43092500  1
  O  O26  1  0.76730600  0.41412800  0.72077000  1
  O  O27  1  0.23820900  0.46505500  0.55839800  1
  O  O28  1  0.73269400  0.41412800  0.22077000  1
  O  O29  1  0.26179100  0.46505500  0.05839800  1
  O  O30  1  0.73820900  0.53494500  0.94160200  1
  O  O31  1  0.26730600  0.58587200  0.77923000  1
  O  O32  1  0.76179100  0.53494500  0.44160200  1
  O  O33  1  0.23269400  0.58587200  0.27923000  1
  O  O34  1  0.94254300  0.68831300  0.55836400  1
  O  O35  1  0.55687200  0.67610000  0.56907500  1
  O  O36  1  0.55745700  0.68831300  0.05836400  1
  O  O37  1  0.94312800  0.67610000  0.06907500  1
  O  O38  1  0.26396800  0.82960700  0.84882100  1
  O  O39  1  0.73651700  0.90434900  0.71789300  1
  O  O40  1  0.23603200  0.82960700  0.34882100  1
  O  O41  1  0.76348300  0.90434900  0.21789300  1
  O  O42  1  0.26120800  0.89815900  0.52391900  1
  O  O43  1  0.23879200  0.89815900  0.02391900  1
