# generated using pymatgen
data_LiCuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95055300
_cell_length_b   6.31360714
_cell_length_c   9.43221429
_cell_angle_alpha   73.24257196
_cell_angle_beta   83.38109715
_cell_angle_gamma   80.38523071
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuPO4
_chemical_formula_sum   'Li4 Cu4 P4 O16'
_cell_volume   333.70211832
_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  0.56891900  0.82001600  0.70802700  1
  Li  Li1  1  0.43137600  0.65605100  0.32613000  1
  Li  Li2  1  0.56862400  0.34394900  0.67387000  1
  Li  Li3  1  0.43108100  0.17998400  0.29197300  1
  Cu  Cu4  1  0.97925200  0.89298300  0.28004200  1
  Cu  Cu5  1  0.80072900  0.65621800  0.05373000  1
  Cu  Cu6  1  0.19927100  0.34378200  0.94627000  1
  Cu  Cu7  1  0.02074800  0.10701700  0.71995800  1
  P  P8  1  0.12787800  0.70738800  0.61599800  1
  P  P9  1  0.28607800  0.81343100  0.99581100  1
  P  P10  1  0.71392200  0.18656900  0.00418900  1
  P  P11  1  0.87212200  0.29261200  0.38400200  1
  O  O12  1  0.52985400  0.74657600  0.93571100  1
  O  O13  1  0.25070000  0.89730800  0.64129200  1
  O  O14  1  0.87827600  0.73445300  0.66956200  1
  O  O15  1  0.80343100  0.94539000  0.10202900  1
  O  O16  1  0.13135000  0.64981500  0.97502000  1
  O  O17  1  0.16437600  0.72369000  0.44607000  1
  O  O18  1  0.27121700  0.81452400  0.15918900  1
  O  O19  1  0.73409600  0.52040800  0.30416700  1
  O  O20  1  0.26590400  0.47959200  0.69583300  1
  O  O21  1  0.72878300  0.18547600  0.84081100  1
  O  O22  1  0.83562400  0.27631000  0.55393000  1
  O  O23  1  0.86865000  0.35018500  0.02498000  1
  O  O24  1  0.19656900  0.05461000  0.89797100  1
  O  O25  1  0.12172400  0.26554700  0.33043800  1
  O  O26  1  0.74930000  0.10269200  0.35870800  1
  O  O27  1  0.47014600  0.25342400  0.06428900  1
