# generated using pymatgen
data_LiLuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37577809
_cell_length_b   5.37577809
_cell_length_c   5.37577783
_cell_angle_alpha   35.45602002
_cell_angle_beta   35.45602002
_cell_angle_gamma   35.45602664
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLuO2
_chemical_formula_sum   'Li1 Lu1 O2'
_cell_volume   46.71221071
_cell_formula_units_Z   1
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  0.00000000  0.00000000  0.00000000  1
  Lu  Lu1  1  0.50000000  0.50000000  0.50000000  1
  O  O2  1  0.24388700  0.24388700  0.24388700  1
  O  O3  1  0.75611300  0.75611300  0.75611300  1
