# generated using pymatgen
data_Li4CrP6(H4O11)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.04705900
_cell_length_b   7.56875266
_cell_length_c   8.47206876
_cell_angle_alpha   85.45316242
_cell_angle_beta   77.35136583
_cell_angle_gamma   84.11049676
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4CrP6(H4O11)2
_chemical_formula_sum   'Li4 Cr1 P6 H8 O22'
_cell_volume   437.83287727
_cell_formula_units_Z   1
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  0.92894400  0.65034500  0.41826900  1
  Li  Li1  1  0.67521400  0.56216300  0.76681500  1
  Li  Li2  1  0.32478600  0.43783700  0.23318500  1
  Li  Li3  1  0.07105600  0.34965500  0.58173100  1
  Cr  Cr4  1  0.00000000  0.00000000  0.00000000  1
  P  P5  1  0.78004800  0.97842900  0.69499100  1
  P  P6  1  0.55418900  0.78126100  0.16844900  1
  P  P7  1  0.33943900  0.70812800  0.49491300  1
  P  P8  1  0.66056100  0.29187200  0.50508700  1
  P  P9  1  0.44581100  0.21873900  0.83155100  1
  P  P10  1  0.21995200  0.02157100  0.30500900  1
  H  H11  1  0.25641200  0.76263400  0.81184700  1
  H  H12  1  0.27206100  0.73188500  0.99516200  1
  H  H13  1  0.96876000  0.60957900  0.11907800  1
  H  H14  1  0.03105200  0.58740700  0.81398000  1
  H  H15  1  0.96894800  0.41259300  0.18602000  1
  H  H16  1  0.03124000  0.39042100  0.88092200  1
  H  H17  1  0.72793900  0.26811500  0.00483800  1
  H  H18  1  0.74358800  0.23736600  0.18815300  1
  O  O19  1  0.43458200  0.97708000  0.18925200  1
  O  O20  1  0.24205400  0.90999000  0.47314300  1
  O  O21  1  0.80411200  0.78552700  0.66050900  1
  O  O22  1  0.06952000  0.94215300  0.23659600  1
  O  O23  1  0.76270500  0.80597400  0.09530000  1
  O  O24  1  0.17662000  0.77400100  0.92528300  1
  O  O25  1  0.54087600  0.71259800  0.35834300  1
  O  O26  1  0.39516700  0.68396400  0.65535400  1
  O  O27  1  0.44766500  0.65852200  0.09360600  1
  O  O28  1  0.97883600  0.47506900  0.80345200  1
  O  O29  1  0.20829800  0.58068500  0.45150900  1
  O  O30  1  0.79170200  0.41931500  0.54849100  1
  O  O31  1  0.02116400  0.52493100  0.19654800  1
  O  O32  1  0.55233500  0.34147800  0.90639400  1
  O  O33  1  0.60483300  0.31603600  0.34464600  1
  O  O34  1  0.45912400  0.28740200  0.64165700  1
  O  O35  1  0.82338000  0.22599900  0.07471700  1
  O  O36  1  0.23729500  0.19402600  0.90470000  1
  O  O37  1  0.93048000  0.05784700  0.76340400  1
  O  O38  1  0.19588800  0.21447300  0.33949100  1
  O  O39  1  0.75794600  0.09001000  0.52685700  1
  O  O40  1  0.56541800  0.02292000  0.81074800  1
