# generated using pymatgen
data_LiMnPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24013400
_cell_length_b   8.42103600
_cell_length_c   10.25736952
_cell_angle_alpha   85.84492459
_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   537.59155328
_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  0.97116300  0.74246500  0.62589200  1
  Li  Li1  1  0.52883700  0.74246500  0.12589200  1
  Li  Li2  1  0.02883700  0.25753500  0.37410800  1
  Li  Li3  1  0.47116300  0.25753500  0.87410800  1
  Mn  Mn4  1  0.25013300  0.66966300  0.35433100  1
  Mn  Mn5  1  0.24986700  0.66966300  0.85433100  1
  Mn  Mn6  1  0.74986700  0.33033700  0.64566900  1
  Mn  Mn7  1  0.75013300  0.33033700  0.14566900  1
  P  P8  1  0.75668400  0.57408800  0.38764900  1
  P  P9  1  0.74331600  0.57408800  0.88764900  1
  P  P10  1  0.24331600  0.42591200  0.61235100  1
  P  P11  1  0.25668400  0.42591200  0.11235100  1
  C  C12  1  0.24514300  0.94907400  0.39527800  1
  C  C13  1  0.25485700  0.94907400  0.89527800  1
  C  C14  1  0.75485700  0.05092600  0.60472200  1
  C  C15  1  0.74514300  0.05092600  0.10472200  1
  O  O16  1  0.26222500  0.89398900  0.27853200  1
  O  O17  1  0.76778000  0.90985700  0.58168600  1
  O  O18  1  0.23777500  0.89398900  0.77853200  1
  O  O19  1  0.24121500  0.82804100  0.48680700  1
  O  O20  1  0.73222000  0.90985700  0.08168600  1
  O  O21  1  0.25878500  0.82804100  0.98680700  1
  O  O22  1  0.94621800  0.68620600  0.34836800  1
  O  O23  1  0.55947100  0.67523200  0.34224600  1
  O  O24  1  0.94052900  0.67523200  0.84224600  1
  O  O25  1  0.55378200  0.68620600  0.84836800  1
  O  O26  1  0.23146100  0.58436000  0.67882400  1
  O  O27  1  0.76093400  0.53505900  0.53873200  1
  O  O28  1  0.26853900  0.58436000  0.17882400  1
  O  O29  1  0.73906600  0.53505900  0.03873200  1
  O  O30  1  0.23906600  0.46494100  0.46126800  1
  O  O31  1  0.76853900  0.41564000  0.32117600  1
  O  O32  1  0.26093400  0.46494100  0.96126800  1
  O  O33  1  0.73146100  0.41564000  0.82117600  1
  O  O34  1  0.05378200  0.31379400  0.65163200  1
  O  O35  1  0.44052900  0.32476800  0.65775400  1
  O  O36  1  0.44621800  0.31379400  0.15163200  1
  O  O37  1  0.05947100  0.32476800  0.15775400  1
  O  O38  1  0.75878500  0.17195900  0.51319300  1
  O  O39  1  0.23222000  0.09014300  0.41831400  1
  O  O40  1  0.74121500  0.17195900  0.01319300  1
  O  O41  1  0.73777500  0.10601100  0.72146800  1
  O  O42  1  0.26778000  0.09014300  0.91831400  1
  O  O43  1  0.76222500  0.10601100  0.22146800  1
