# generated using pymatgen
data_LiLuGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.88510476
_cell_length_b   6.88510476
_cell_length_c   4.15059238
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000657
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLuGe
_chemical_formula_sum   'Li3 Lu3 Ge3'
_cell_volume   170.39694065
_cell_formula_units_Z   3
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  0.23274388  -0.00000000  0.50000000  1
  Li  Li1  1  -0.00000000  0.23274388  0.50000000  1
  Li  Li2  1  0.76725612  0.76725612  0.50000000  1
  Lu  Lu3  1  0.57334502  0.00000000  0.00000000  1
  Lu  Lu4  1  0.00000000  0.57334502  -0.00000000  1
  Lu  Lu5  1  0.42665498  0.42665498  -0.00000000  1
  Ge  Ge6  1  0.33333300  0.66666700  0.50000000  1
  Ge  Ge7  1  0.66666700  0.33333300  0.50000000  1
  Ge  Ge8  1  0.00000000  -0.00000000  0.00000000  1
