# generated using pymatgen
data_LiCrPH2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.29328300
_cell_length_b   6.05726400
_cell_length_c   9.86694005
_cell_angle_alpha   85.79531231
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCrPH2O5
_chemical_formula_sum   'Li4 Cr4 P4 H8 O20'
_cell_volume   434.72195101
_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  0.44033900  0.42124500  0.35064500  1
  Li  Li1  1  0.05966100  0.92124500  0.35064500  1
  Li  Li2  1  0.94033900  0.07875500  0.64935500  1
  Li  Li3  1  0.55966100  0.57875500  0.64935500  1
  Cr  Cr4  1  0.19443600  0.20840100  0.01265300  1
  Cr  Cr5  1  0.30556400  0.70840100  0.01265300  1
  Cr  Cr6  1  0.69443600  0.29159900  0.98734700  1
  Cr  Cr7  1  0.80556400  0.79159900  0.98734700  1
  P  P8  1  0.52838900  0.00398600  0.20176000  1
  P  P9  1  0.97161100  0.50398600  0.20176000  1
  P  P10  1  0.02838900  0.49601400  0.79824000  1
  P  P11  1  0.47161100  0.99601400  0.79824000  1
  H  H12  1  0.73301800  0.14435800  0.41561700  1
  H  H13  1  0.89585600  0.31013600  0.44202800  1
  H  H14  1  0.76698200  0.64435800  0.41561700  1
  H  H15  1  0.60414400  0.81013600  0.44202800  1
  H  H16  1  0.39585600  0.18986400  0.55797200  1
  H  H17  1  0.23301800  0.35564200  0.58438300  1
  H  H18  1  0.10414400  0.68986400  0.55797200  1
  H  H19  1  0.26698200  0.85564200  0.58438300  1
  O  O20  1  0.45510000  0.19183800  0.09212100  1
  O  O21  1  0.04490000  0.69183800  0.09212100  1
  O  O22  1  0.77423200  0.45353700  0.15339500  1
  O  O23  1  0.72576800  0.95353700  0.15339500  1
  O  O24  1  0.10306900  0.30243100  0.19761300  1
  O  O25  1  0.39693100  0.80243100  0.19761300  1
  O  O26  1  0.52915100  0.09559600  0.34167200  1
  O  O27  1  0.97084900  0.59559600  0.34167200  1
  O  O28  1  0.85578600  0.15527600  0.45992400  1
  O  O29  1  0.64421400  0.65527600  0.45992400  1
  O  O30  1  0.35578600  0.34472400  0.54007600  1
  O  O31  1  0.14421400  0.84472400  0.54007600  1
  O  O32  1  0.02915100  0.40440400  0.65832800  1
  O  O33  1  0.47084900  0.90440400  0.65832800  1
  O  O34  1  0.60306900  0.19756900  0.80238700  1
  O  O35  1  0.89693100  0.69756900  0.80238700  1
  O  O36  1  0.27423200  0.04646300  0.84660500  1
  O  O37  1  0.22576800  0.54646300  0.84660500  1
  O  O38  1  0.95510000  0.30816200  0.90787900  1
  O  O39  1  0.54490000  0.80816200  0.90787900  1
