# generated using pymatgen
data_LiCuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36738800
_cell_length_b   5.04776900
_cell_length_c   7.88784699
_cell_angle_alpha   50.88466913
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuPO4
_chemical_formula_sum   'Li2 Cu2 P2 O8'
_cell_volume   165.81131709
_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  0.66439600  0.24521300  0.75300300  1
  Li  Li1  1  0.33560400  0.24521300  0.25300300  1
  Cu  Cu2  1  0.81789100  0.98781800  0.49891400  1
  Cu  Cu3  1  0.18210900  0.98781800  0.99891400  1
  P  P4  1  0.15037000  0.50228600  0.50006100  1
  P  P5  1  0.84963000  0.50228600  0.00006100  1
  O  O6  1  0.30878000  0.22299600  0.70462700  1
  O  O7  1  0.11739100  0.37578900  0.01700600  1
  O  O8  1  0.85500200  0.82558800  0.98327500  1
  O  O9  1  0.71594300  0.59209400  0.79399600  1
  O  O10  1  0.88260900  0.37578900  0.51700600  1
  O  O11  1  0.69122000  0.22299600  0.20462700  1
  O  O12  1  0.14499800  0.82558800  0.48327500  1
  O  O13  1  0.28405700  0.59209400  0.29399600  1
