# generated using pymatgen
data_LiCuPH2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.99026000
_cell_length_b   6.13807500
_cell_length_c   9.82972709
_cell_angle_alpha   86.50758274
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuPH2O5
_chemical_formula_sum   'Li4 Cu4 P4 H8 O20'
_cell_volume   420.97827959
_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  0.41418100  0.40330300  0.34341300  1
  Li  Li1  1  0.08581900  0.90330300  0.34341300  1
  Li  Li2  1  0.91418100  0.09669700  0.65658700  1
  Li  Li3  1  0.58581900  0.59669700  0.65658700  1
  Cu  Cu4  1  0.20277000  0.21428200  0.01165700  1
  Cu  Cu5  1  0.29723000  0.71428200  0.01165700  1
  Cu  Cu6  1  0.70277000  0.28571800  0.98834300  1
  Cu  Cu7  1  0.79723000  0.78571800  0.98834300  1
  P  P8  1  0.52747800  0.00183500  0.19256800  1
  P  P9  1  0.97252200  0.50183500  0.19256800  1
  P  P10  1  0.02747800  0.49816500  0.80743200  1
  P  P11  1  0.47252200  0.99816500  0.80743200  1
  H  H12  1  0.72855700  0.15037000  0.41478800  1
  H  H13  1  0.89409700  0.32040200  0.43749800  1
  H  H14  1  0.77144300  0.65037000  0.41478800  1
  H  H15  1  0.60590300  0.82040200  0.43749800  1
  H  H16  1  0.39409700  0.17959800  0.56250200  1
  H  H17  1  0.22855700  0.34963000  0.58521200  1
  H  H18  1  0.10590300  0.67959800  0.56250200  1
  H  H19  1  0.27144300  0.84963000  0.58521200  1
  O  O20  1  0.46205100  0.19171100  0.08436200  1
  O  O21  1  0.03794900  0.69171100  0.08436200  1
  O  O22  1  0.76652400  0.44186800  0.14967000  1
  O  O23  1  0.73347600  0.94186800  0.14967000  1
  O  O24  1  0.11986400  0.31163000  0.18853200  1
  O  O25  1  0.38013600  0.81163000  0.18853200  1
  O  O26  1  0.52559700  0.08956000  0.33514200  1
  O  O27  1  0.97440300  0.58956000  0.33514200  1
  O  O28  1  0.85067200  0.17155200  0.46495000  1
  O  O29  1  0.64932800  0.67155200  0.46495000  1
  O  O30  1  0.35067200  0.32844800  0.53505000  1
  O  O31  1  0.14932800  0.82844800  0.53505000  1
  O  O32  1  0.02559700  0.41044000  0.66485800  1
  O  O33  1  0.47440300  0.91044000  0.66485800  1
  O  O34  1  0.61986400  0.18837000  0.81146800  1
  O  O35  1  0.88013600  0.68837000  0.81146800  1
  O  O36  1  0.26652400  0.05813200  0.85033000  1
  O  O37  1  0.23347600  0.55813200  0.85033000  1
  O  O38  1  0.96205100  0.30828900  0.91563800  1
  O  O39  1  0.53794900  0.80828900  0.91563800  1
