# generated using pymatgen
data_Li2CuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.20359400
_cell_length_b   5.13219500
_cell_length_c   10.85905510
_cell_angle_alpha   89.36063471
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CuPO4
_chemical_formula_sum   'Li8 Cu4 P4 O16'
_cell_volume   345.70965814
_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  0.25287300  0.20366100  0.33856100  1
  Li  Li1  1  0.74712700  0.20366100  0.33856100  1
  Li  Li2  1  0.00000000  0.80441000  0.42737100  1
  Li  Li3  1  0.75130500  0.80233700  0.65813800  1
  Li  Li4  1  0.00000000  0.69556900  0.92333600  1
  Li  Li5  1  0.74393700  0.30320700  0.83763300  1
  Li  Li6  1  0.25606300  0.30320700  0.83763300  1
  Li  Li7  1  0.24869500  0.80233700  0.65813800  1
  Cu  Cu8  1  0.50000000  0.22520100  0.11945500  1
  Cu  Cu9  1  0.69658500  0.74917700  0.16829200  1
  Cu  Cu10  1  0.30341500  0.74917700  0.16829200  1
  Cu  Cu11  1  0.50000000  0.24822200  0.60703000  1
  P  P12  1  0.50000000  0.79636800  0.89368000  1
  P  P13  1  0.00000000  0.31072300  0.58500000  1
  P  P14  1  0.50000000  0.69133000  0.41449300  1
  P  P15  1  0.00000000  0.18996200  0.08340200  1
  O  O16  1  0.19907400  0.28405300  0.15971800  1
  O  O17  1  0.80092600  0.28405300  0.15971800  1
  O  O18  1  0.00000000  0.88592200  0.07833700  1
  O  O19  1  0.19973800  0.20247000  0.65795000  1
  O  O20  1  0.00000000  0.30631800  0.95123200  1
  O  O21  1  0.29124100  0.80605300  0.35130200  1
  O  O22  1  0.70792800  0.69739900  0.82831900  1
  O  O23  1  0.29207200  0.69739900  0.82831900  1
  O  O24  1  0.50000000  0.09830700  0.89851300  1
  O  O25  1  0.80026200  0.20247000  0.65795000  1
  O  O26  1  0.00000000  0.61334600  0.58559000  1
  O  O27  1  0.50000000  0.77004500  0.55137100  1
  O  O28  1  0.00000000  0.20684000  0.45163300  1
  O  O29  1  0.50000000  0.38957200  0.40411600  1
  O  O30  1  0.70875900  0.80605300  0.35130200  1
  O  O31  1  0.50000000  0.67115000  0.02561500  1
