# generated using pymatgen
data_LiMnPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23225400
_cell_length_b   8.37365900
_cell_length_c   10.22981888
_cell_angle_alpha   85.80593317
_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   532.43155266
_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  0.53057000  0.74330000  0.87652500  1
  Li  Li1  1  0.96943000  0.74330000  0.37652500  1
  Li  Li2  1  0.03057000  0.25670000  0.62347500  1
  Li  Li3  1  0.46943000  0.25670000  0.12347500  1
  Mn  Mn4  1  0.25227000  0.67004400  0.60290900  1
  Mn  Mn5  1  0.24773000  0.67004400  0.10290900  1
  Mn  Mn6  1  0.75227000  0.32995600  0.89709100  1
  Mn  Mn7  1  0.74773000  0.32995600  0.39709100  1
  P  P8  1  0.75319200  0.57379900  0.63783900  1
  P  P9  1  0.74680800  0.57379900  0.13783900  1
  P  P10  1  0.25319200  0.42620100  0.86216100  1
  P  P11  1  0.24680800  0.42620100  0.36216100  1
  C  C12  1  0.25048600  0.94937800  0.64492700  1
  C  C13  1  0.24951400  0.94937800  0.14492700  1
  C  C14  1  0.75048700  0.05062200  0.85507300  1
  C  C15  1  0.74951400  0.05062200  0.35507300  1
  O  O16  1  0.24356100  0.89479600  0.52747800  1
  O  O17  1  0.73564500  0.90945800  0.83054300  1
  O  O18  1  0.25643900  0.89479600  0.02747800  1
  O  O19  1  0.27245700  0.82779200  0.73538100  1
  O  O20  1  0.76435500  0.90945800  0.33054300  1
  O  O21  1  0.22754300  0.82779200  0.23538100  1
  O  O22  1  0.94232900  0.68798800  0.59776400  1
  O  O23  1  0.55603700  0.67232900  0.59089700  1
  O  O24  1  0.94396300  0.67232900  0.09089700  1
  O  O25  1  0.55767100  0.68798800  0.09776400  1
  O  O26  1  0.27729700  0.58535600  0.92844000  1
  O  O27  1  0.74083100  0.53447100  0.78902500  1
  O  O28  1  0.22270300  0.58535600  0.42844000  1
  O  O29  1  0.75916900  0.53447100  0.28902500  1
  O  O30  1  0.24083100  0.46552900  0.71097500  1
  O  O31  1  0.77729700  0.41464400  0.57156000  1
  O  O32  1  0.25916900  0.46552900  0.21097500  1
  O  O33  1  0.72270300  0.41464400  0.07156000  1
  O  O34  1  0.05603700  0.32767100  0.90910300  1
  O  O35  1  0.44232900  0.31201200  0.90223600  1
  O  O36  1  0.44396300  0.32767100  0.40910300  1
  O  O37  1  0.05767100  0.31201200  0.40223600  1
  O  O38  1  0.77245700  0.17220800  0.76461900  1
  O  O39  1  0.23564500  0.09054200  0.66945700  1
  O  O40  1  0.72754300  0.17220800  0.26461900  1
  O  O41  1  0.74356100  0.10520400  0.97252200  1
  O  O42  1  0.26435500  0.09054200  0.16945700  1
  O  O43  1  0.75643900  0.10520400  0.47252200  1
