# generated using pymatgen
data_LiMnPH2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13860000
_cell_length_b   10.43032800
_cell_length_c   17.01420800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnPH2O5
_chemical_formula_sum   'Li8 Mn8 P8 H16 O40'
_cell_volume   911.91532904
_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  0.46984900  0.17645000  0.49616800  1
  Li  Li1  1  0.53015100  0.17645000  0.99616800  1
  Li  Li2  1  0.90979300  0.39624500  0.24780400  1
  Li  Li3  1  0.09020700  0.39624500  0.74780400  1
  Li  Li4  1  0.46984900  0.67645000  0.00383200  1
  Li  Li5  1  0.53015100  0.67645000  0.50383200  1
  Li  Li6  1  0.09020700  0.89624500  0.75219600  1
  Li  Li7  1  0.90979300  0.89624500  0.25219600  1
  Mn  Mn8  1  0.54138900  0.14937500  0.18993600  1
  Mn  Mn9  1  0.45861100  0.14937500  0.68993600  1
  Mn  Mn10  1  0.11038600  0.42051400  0.94216400  1
  Mn  Mn11  1  0.88961400  0.42051400  0.44216400  1
  Mn  Mn12  1  0.45861100  0.64937500  0.81006400  1
  Mn  Mn13  1  0.54138900  0.64937500  0.31006400  1
  Mn  Mn14  1  0.11038600  0.92051400  0.55783600  1
  Mn  Mn15  1  0.88961400  0.92051400  0.05783600  1
  P  P16  1  0.01309500  0.22671300  0.09184200  1
  P  P17  1  0.98690500  0.22671300  0.59184200  1
  P  P18  1  0.41142800  0.34590700  0.34142400  1
  P  P19  1  0.58857200  0.34590700  0.84142400  1
  P  P20  1  0.98690500  0.72671300  0.90815800  1
  P  P21  1  0.01309500  0.72671300  0.40815800  1
  P  P22  1  0.58857200  0.84590700  0.65857600  1
  P  P23  1  0.41142800  0.84590700  0.15857600  1
  H  H24  1  0.09115700  0.00553700  0.37074800  1
  H  H25  1  0.90884300  0.00553700  0.87074800  1
  H  H26  1  0.63634200  0.05026200  0.38154100  1
  H  H27  1  0.36365800  0.05026200  0.88154100  1
  H  H28  1  0.13222500  0.10805100  0.30580200  1
  H  H29  1  0.86777500  0.10805100  0.80580200  1
  H  H30  1  0.61118200  0.44846700  0.05328100  1
  H  H31  1  0.38881800  0.44846700  0.55328100  1
  H  H32  1  0.09115700  0.50553700  0.12925200  1
  H  H33  1  0.90884300  0.50553700  0.62925200  1
  H  H34  1  0.36365800  0.55026200  0.61845900  1
  H  H35  1  0.63634200  0.55026200  0.11845900  1
  H  H36  1  0.86777500  0.60805100  0.69419800  1
  H  H37  1  0.13222500  0.60805100  0.19419800  1
  H  H38  1  0.61118200  0.94846700  0.44671900  1
  H  H39  1  0.38881800  0.94846700  0.94671900  1
  O  O40  1  0.52844700  0.02678400  0.42690600  1
  O  O41  1  0.47155300  0.02678400  0.92690600  1
  O  O42  1  0.01301600  0.03837900  0.32236400  1
  O  O43  1  0.98698400  0.03837900  0.82236400  1
  O  O44  1  0.85647000  0.11875300  0.04912000  1
  O  O45  1  0.14353000  0.11875300  0.54912000  1
  O  O46  1  0.69287100  0.19224300  0.59373700  1
  O  O47  1  0.30712900  0.19224300  0.09373700  1
  O  O48  1  0.57400500  0.21718800  0.79658700  1
  O  O49  1  0.42599500  0.21718800  0.29658700  1
  O  O50  1  0.90227400  0.24162000  0.17661700  1
  O  O51  1  0.09772600  0.24162000  0.67661700  1
  O  O52  1  0.47378000  0.32958100  0.92594500  1
  O  O53  1  0.52622000  0.32958100  0.42594500  1
  O  O54  1  0.97008700  0.35399900  0.04666900  1
  O  O55  1  0.02991300  0.35399900  0.54666900  1
  O  O56  1  0.12225600  0.38812100  0.34558000  1
  O  O57  1  0.87774400  0.38812100  0.84558000  1
  O  O58  1  0.57496600  0.45022200  0.29766500  1
  O  O59  1  0.42503400  0.45022200  0.79766500  1
  O  O60  1  0.52844700  0.52678400  0.07309400  1
  O  O61  1  0.47155300  0.52678400  0.57309400  1
  O  O62  1  0.01301600  0.53837900  0.17763600  1
  O  O63  1  0.98698400  0.53837900  0.67763600  1
  O  O64  1  0.14353000  0.61875300  0.95088000  1
  O  O65  1  0.85647000  0.61875300  0.45088000  1
  O  O66  1  0.69287100  0.69224300  0.90626300  1
  O  O67  1  0.30712900  0.69224300  0.40626300  1
  O  O68  1  0.57400500  0.71718800  0.70341300  1
  O  O69  1  0.42599500  0.71718800  0.20341300  1
  O  O70  1  0.90227400  0.74162000  0.32338300  1
  O  O71  1  0.09772600  0.74162000  0.82338300  1
  O  O72  1  0.47378000  0.82958100  0.57405500  1
  O  O73  1  0.52622000  0.82958100  0.07405500  1
  O  O74  1  0.97008700  0.85399900  0.45333100  1
  O  O75  1  0.02991300  0.85399900  0.95333100  1
  O  O76  1  0.87774400  0.88812100  0.65442000  1
  O  O77  1  0.12225600  0.88812100  0.15442000  1
  O  O78  1  0.42503400  0.95022200  0.70233500  1
  O  O79  1  0.57496600  0.95022200  0.20233500  1
