# generated using pymatgen
data_LiYb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77287683
_cell_length_b   6.77287683
_cell_length_c   5.62006825
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999513
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiYb3
_chemical_formula_sum   'Li2 Yb6'
_cell_volume   223.26394643
_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  0.33333300  0.66666700  0.75000000  1.0
  Li  Li1  1  0.66666700  0.33333300  0.25000000  1.0
  Yb  Yb2  1  0.83203643  0.16796357  0.75000000  1.0
  Yb  Yb3  1  0.33592615  0.16796357  0.75000000  1.0
  Yb  Yb4  1  0.83203643  0.66407385  0.75000000  1.0
  Yb  Yb5  1  0.16796357  0.83203643  0.25000000  1.0
  Yb  Yb6  1  0.66407385  0.83203643  0.25000000  1.0
  Yb  Yb7  1  0.16796357  0.33592615  0.25000000  1.0