# generated using pymatgen
data_LiCr3P3(HO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.78920302
_cell_length_b   8.78920302
_cell_length_c   6.60020632
_cell_angle_alpha   72.55395873
_cell_angle_beta   72.55395873
_cell_angle_gamma   88.63788400
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCr3P3(HO6)2
_chemical_formula_sum   'Li2 Cr6 P6 H4 O24'
_cell_volume   462.81143670
_cell_formula_units_Z   2
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  0.98524300  0.01475700  0.25000000  1
  Li  Li1  1  0.01475700  0.98524300  0.75000000  1
  Cr  Cr2  1  0.94600900  0.62603100  0.13685800  1
  Cr  Cr3  1  0.62603100  0.94600900  0.63685800  1
  Cr  Cr4  1  0.27815600  0.72184400  0.25000000  1
  Cr  Cr5  1  0.72184400  0.27815600  0.75000000  1
  Cr  Cr6  1  0.37396900  0.05399100  0.36314200  1
  Cr  Cr7  1  0.05399100  0.37396900  0.86314200  1
  P  P8  1  0.67716100  0.89512700  0.10849400  1
  P  P9  1  0.89512700  0.67716100  0.60849400  1
  P  P10  1  0.67687800  0.32312200  0.25000000  1
  P  P11  1  0.32312200  0.67687800  0.75000000  1
  P  P12  1  0.10487300  0.32283900  0.39150600  1
  P  P13  1  0.32283900  0.10487300  0.89150600  1
  H  H14  1  0.62482300  0.62422500  0.18261800  1
  H  H15  1  0.62422500  0.62482300  0.68261800  1
  H  H16  1  0.37577500  0.37517700  0.31738200  1
  H  H17  1  0.37517700  0.37577500  0.81738200  1
  O  O18  1  0.85442200  0.85518000  0.08621900  1
  O  O19  1  0.60476500  0.96339600  0.30352400  1
  O  O20  1  0.85518000  0.85442200  0.58621900  1
  O  O21  1  0.96339600  0.60476500  0.80352400  1
  O  O22  1  0.32387600  0.98081100  0.11295800  1
  O  O23  1  0.57005200  0.74193100  0.14415800  1
  O  O24  1  0.70726200  0.50143600  0.22690300  1
  O  O25  1  0.71980900  0.22066300  0.46002500  1
  O  O26  1  0.98081100  0.32387600  0.61295800  1
  O  O27  1  0.74193100  0.57005200  0.64415800  1
  O  O28  1  0.50143600  0.70726200  0.72690300  1
  O  O29  1  0.77933700  0.28019100  0.03997500  1
  O  O30  1  0.22066300  0.71980900  0.96002500  1
  O  O31  1  0.49856400  0.29273800  0.27309700  1
  O  O32  1  0.25806900  0.42994800  0.35584200  1
  O  O33  1  0.01918900  0.67612400  0.38704200  1
  O  O34  1  0.28019100  0.77933700  0.53997500  1
  O  O35  1  0.29273800  0.49856400  0.77309700  1
  O  O36  1  0.42994800  0.25806900  0.85584200  1
  O  O37  1  0.67612400  0.01918900  0.88704200  1
  O  O38  1  0.03660400  0.39523500  0.19647600  1
  O  O39  1  0.14482000  0.14557800  0.41378100  1
  O  O40  1  0.39523500  0.03660400  0.69647600  1
  O  O41  1  0.14557800  0.14482000  0.91378100  1
