# generated using pymatgen
data_LiLuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.30961506
_cell_length_b   5.83669663
_cell_length_c   4.30961506
_cell_angle_alpha   68.33478303
_cell_angle_beta   90.00000000
_cell_angle_gamma   111.66521697
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLuO2
_chemical_formula_sum   'Li2 Lu2 O4'
_cell_volume   92.45560133
_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  0.25000000  0.50000000  0.25000000  1
  Li  Li1  1  0.50000000  0.00000000  0.50000000  1
  Lu  Lu2  1  0.00000000  0.00000000  -0.00000000  1
  Lu  Lu3  1  0.75000000  0.50000000  0.75000000  1
  O  O4  1  0.77611870  0.55223740  0.22388130  1
  O  O5  1  0.22388130  0.44776260  0.77611870  1
  O  O6  1  0.52611870  0.05223740  0.97388130  1
  O  O7  1  0.97388130  0.94776260  0.52611870  1
