# generated using pymatgen
data_LiMn6PO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.57319751
_cell_length_b   11.57319751
_cell_length_c   11.57319751
_cell_angle_alpha   131.76089452
_cell_angle_beta   131.76089452
_cell_angle_gamma   70.60693116
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMn6PO12
_chemical_formula_sum   'Li4 Mn24 P4 O48'
_cell_volume   844.98843169
_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  0.25000000  0.25000000  0.00000000  1
  Li  Li1  1  0.00000000  0.50000000  0.50000000  1
  Li  Li2  1  0.75000000  0.75000000  0.00000000  1
  Li  Li3  1  0.50000000  0.00000000  0.50000000  1
  Mn  Mn4  1  0.87500000  0.62500000  0.75000000  1
  Mn  Mn5  1  0.87500000  0.12500000  0.25000000  1
  Mn  Mn6  1  0.98448800  0.51551200  0.00000000  1
  Mn  Mn7  1  0.12500000  0.39809700  0.77309700  1
  Mn  Mn8  1  0.87500000  0.12500000  0.75000000  1
  Mn  Mn9  1  0.12500000  0.89809700  0.27309700  1
  Mn  Mn10  1  0.87500000  0.62500000  0.25000000  1
  Mn  Mn11  1  0.01551200  0.01551200  0.53102400  1
  Mn  Mn12  1  0.10190300  0.37500000  0.22690300  1
  Mn  Mn13  1  0.37500000  0.62500000  0.25000000  1
  Mn  Mn14  1  0.37500000  0.12500000  0.75000000  1
  Mn  Mn15  1  0.14809700  0.87500000  0.77309700  1
  Mn  Mn16  1  0.23448800  0.26551200  0.50000000  1
  Mn  Mn17  1  0.48448800  0.48448800  0.46897600  1
  Mn  Mn18  1  0.37500000  0.12500000  0.25000000  1
  Mn  Mn19  1  0.62500000  0.35190300  0.22690300  1
  Mn  Mn20  1  0.37500000  0.62500000  0.75000000  1
  Mn  Mn21  1  0.62500000  0.85190300  0.72690300  1
  Mn  Mn22  1  0.26551200  0.76551200  0.03102400  1
  Mn  Mn23  1  0.51551200  0.98448800  0.00000000  1
  Mn  Mn24  1  0.60190300  0.37500000  0.72690300  1
  Mn  Mn25  1  0.64809700  0.87500000  0.27309700  1
  Mn  Mn26  1  0.73448800  0.23448800  0.96897600  1
  Mn  Mn27  1  0.76551200  0.73448800  0.50000000  1
  P  P28  1  0.25000000  0.75000000  0.50000000  1
  P  P29  1  0.00000000  0.00000000  0.00000000  1
  P  P30  1  0.75000000  0.25000000  0.50000000  1
  P  P31  1  0.50000000  0.50000000  0.00000000  1
  O  O32  1  0.88295200  0.39802700  0.68745000  1
  O  O33  1  0.96538800  0.70467700  0.02270800  1
  O  O34  1  0.96611800  0.98983900  0.31709500  1
  O  O35  1  0.89902400  0.42274500  0.18290500  1
  O  O36  1  0.01016100  0.32725500  0.97627900  1
  O  O37  1  0.17274500  0.48983900  0.02372100  1
  O  O38  1  0.18196800  0.20467700  0.73928900  1
  O  O39  1  0.05732100  0.03461200  0.73928900  1
  O  O40  1  0.95467700  0.71538800  0.52270800  1
  O  O41  1  0.10197300  0.61704800  0.31255000  1
  O  O42  1  0.94550200  0.13295200  0.98492500  1
  O  O43  1  0.21057700  0.89802700  0.51507500  1
  O  O44  1  0.38295200  0.69550200  0.48492500  1
  O  O45  1  0.03942300  0.05449800  0.18745000  1
  O  O46  1  0.14802700  0.96057700  0.01507500  1
  O  O47  1  0.30449800  0.78942300  0.68745000  1
  O  O48  1  0.19267900  0.43196800  0.47729200  1
  O  O49  1  0.29532300  0.31803200  0.26071100  1
  O  O50  1  0.06803200  0.30732100  0.52270800  1
  O  O51  1  0.46538800  0.44267900  0.26071100  1
  O  O52  1  0.46611800  0.14902400  0.97627900  1
  O  O53  1  0.07725500  0.60097600  0.81709500  1
  O  O54  1  0.35097600  0.03388200  0.02372100  1
  O  O55  1  0.23983900  0.71611800  0.81709500  1
  O  O56  1  0.39902400  0.21611800  0.47627900  1
  O  O57  1  0.51016100  0.53388200  0.68290500  1
  O  O58  1  0.67274500  0.64902400  0.68290500  1
  O  O59  1  0.28388200  0.10097600  0.52372100  1
  O  O60  1  0.68196800  0.94267900  0.97729200  1
  O  O61  1  0.28461200  0.80732100  0.23928900  1
  O  O62  1  0.45467700  0.93196800  0.23928900  1
  O  O63  1  0.55732100  0.81803200  0.02270800  1
  O  O64  1  0.44550200  0.46057700  0.81255000  1
  O  O65  1  0.60197300  0.28942300  0.48492500  1
  O  O66  1  0.71057700  0.19550200  0.31255000  1
  O  O67  1  0.36704800  0.55449800  0.01507500  1
  O  O68  1  0.53942300  0.35197300  0.98492500  1
  O  O69  1  0.80449800  0.11704800  0.51507500  1
  O  O70  1  0.64802700  0.63295200  0.18745000  1
  O  O71  1  0.69267900  0.21538800  0.76071100  1
  O  O72  1  0.79532300  0.53461200  0.97729200  1
  O  O73  1  0.56803200  0.04532300  0.76071100  1
  O  O74  1  0.57725500  0.76016100  0.47627900  1
  O  O75  1  0.73983900  0.92274500  0.52372100  1
  O  O76  1  0.85097600  0.82725500  0.31709500  1
  O  O77  1  0.78388200  0.26016100  0.18290500  1
  O  O78  1  0.78461200  0.54532300  0.47729200  1
  O  O79  1  0.86704800  0.85197300  0.81255000  1
