# generated using pymatgen
data_LiMnPH2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.24251500
_cell_length_b   10.51854222
_cell_length_c   10.70064147
_cell_angle_alpha   95.64986169
_cell_angle_beta   107.89534124
_cell_angle_gamma   108.32161998
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnPH2O5
_chemical_formula_sum   'Li8 Mn8 P8 H16 O40'
_cell_volume   818.33172437
_cell_formula_units_Z   8
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  0.74329700  0.16243400  0.06677900  1
  Li  Li1  1  0.35118100  0.24279400  0.21367900  1
  Li  Li2  1  0.84617500  0.76919000  0.46729000  1
  Li  Li3  1  0.26495000  0.66261400  0.32638100  1
  Li  Li4  1  0.74944300  0.33587700  0.68080100  1
  Li  Li5  1  0.15039400  0.23612600  0.53322700  1
  Li  Li6  1  0.85305700  0.75701500  0.96657600  1
  Li  Li7  1  0.26104800  0.66016500  0.83238000  1
  Mn  Mn8  1  0.99735900  0.99530900  0.25352000  1
  Mn  Mn9  1  0.49806300  0.99235300  0.25275600  1
  Mn  Mn10  1  0.99979700  0.50193300  0.49656000  1
  Mn  Mn11  1  0.50232700  0.50094400  0.50091300  1
  Mn  Mn12  1  0.00259300  0.00179900  0.75083300  1
  Mn  Mn13  1  0.50026700  0.00054300  0.74824800  1
  Mn  Mn14  1  0.99666000  0.49202200  0.00332800  1
  Mn  Mn15  1  0.49889300  0.49502500  0.00427500  1
  P  P16  1  0.58075900  0.83532100  0.00423400  1
  P  P17  1  0.90802300  0.66205900  0.24451800  1
  P  P18  1  0.08445000  0.33289400  0.25717600  1
  P  P19  1  0.58369500  0.83493400  0.50539900  1
  P  P20  1  0.41271400  0.16743500  0.49542300  1
  P  P21  1  0.90995700  0.66086400  0.74533700  1
  P  P22  1  0.08515700  0.34041200  0.75288600  1
  P  P23  1  0.41217800  0.16072500  0.99775700  1
  H  H24  1  0.17954500  0.96050500  0.05038200  1
  H  H25  1  0.39533700  0.67839200  0.12527100  1
  H  H26  1  0.12994600  0.82825700  0.12517800  1
  H  H27  1  0.33797800  0.53614700  0.18892500  1
  H  H28  1  0.68060800  0.46039000  0.30145200  1
  H  H29  1  0.86920600  0.17212700  0.37592300  1
  H  H30  1  0.62922500  0.32623800  0.37467300  1
  H  H31  1  0.81770800  0.03525400  0.44509800  1
  H  H32  1  0.18202700  0.96553500  0.55719100  1
  H  H33  1  0.40155700  0.68111200  0.63159700  1
  H  H34  1  0.13326700  0.83094000  0.63061600  1
  H  H35  1  0.34077200  0.54046600  0.69260600  1
  H  H36  1  0.65820400  0.45994100  0.80843500  1
  H  H37  1  0.89310400  0.17446900  0.87346500  1
  H  H38  1  0.60537500  0.32272800  0.87731600  1
  H  H39  1  0.83848100  0.03491600  0.93827400  1
  O  O40  1  0.77232000  0.95708400  0.05570200  1
  O  O41  1  0.94383700  0.35079600  0.13239200  1
  O  O42  1  0.49508400  0.82688800  0.11492700  1
  O  O43  1  0.39448700  0.29854600  0.04454800  1
  O  O44  1  0.71637900  0.54820700  0.19670900  1
  O  O45  1  0.90015700  0.80142200  0.29910900  1
  O  O46  1  0.31818600  0.57501700  0.10609200  1
  O  O47  1  0.17241100  0.93027300  0.13732000  1
  O  O48  1  0.53371100  0.13007500  0.12598700  1
  O  O49  1  0.01786700  0.32600400  0.37927800  1
  O  O50  1  0.98594300  0.67174800  0.12720400  1
  O  O51  1  0.44999800  0.85675700  0.37884100  1
  O  O52  1  0.81474600  0.06935500  0.35864100  1
  O  O53  1  0.68199800  0.42848000  0.38962500  1
  O  O54  1  0.10874600  0.19555000  0.21843800  1
  O  O55  1  0.27366600  0.45452300  0.30174200  1
  O  O56  1  0.59386800  0.69218000  0.46167100  1
  O  O57  1  0.78533100  0.93870800  0.54843200  1
  O  O58  1  0.47570900  0.16884900  0.37169100  1
  O  O59  1  0.04341100  0.62884500  0.36250600  1
  O  O60  1  0.96093700  0.36940700  0.62513300  1
  O  O61  1  0.50722800  0.83414000  0.61979700  1
  O  O62  1  0.21285900  0.06201100  0.45503600  1
  O  O63  1  0.40170600  0.30949700  0.53877100  1
  O  O64  1  0.72518500  0.53424400  0.69050300  1
  O  O65  1  0.88522700  0.79440000  0.79307900  1
  O  O66  1  0.32763100  0.57793600  0.60924600  1
  O  O67  1  0.18529300  0.93343500  0.64463000  1
  O  O68  1  0.55069700  0.14354100  0.61661500  1
  O  O69  1  0.97871000  0.32707600  0.85248300  1
  O  O70  1  0.99313900  0.67625000  0.63089900  1
  O  O71  1  0.44971300  0.85219400  0.87371000  1
  O  O72  1  0.82591900  0.07110600  0.85400200  1
  O  O73  1  0.67172000  0.42636900  0.89434600  1
  O  O74  1  0.11290300  0.20675900  0.70987100  1
  O  O75  1  0.27180000  0.46511000  0.81394100  1
  O  O76  1  0.61050700  0.69848200  0.97086200  1
  O  O77  1  0.51963400  0.17057800  0.89877900  1
  O  O78  1  0.04022400  0.63018900  0.86852100  1
  O  O79  1  0.22047700  0.04578800  0.93920400  1
