# generated using pymatgen
data_LiLu19(Cd3Ru)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.24497264
_cell_length_b   9.24497159
_cell_length_c   9.52164818
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000031
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLu19(Cd3Ru)2
_chemical_formula_sum   'Li1 Lu19 Cd6 Ru2'
_cell_volume   704.78065042
_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  0.50000000  1.0
  Lu  Lu1  1  0.00000000  0.00000000  0.00000000  1.0
  Lu  Lu2  1  0.20841849  0.79158151  0.44091541  1.0
  Lu  Lu3  1  0.20841849  0.41683699  0.44091541  1.0
  Lu  Lu4  1  0.58316301  0.79158151  0.44091541  1.0
  Lu  Lu5  1  0.79158151  0.20841849  0.55908459  1.0
  Lu  Lu6  1  0.79158151  0.58316301  0.55908459  1.0
  Lu  Lu7  1  0.41683699  0.20841849  0.55908459  1.0
  Lu  Lu8  1  0.78948413  0.21051587  0.94210521  1.0
  Lu  Lu9  1  0.78948413  0.57896726  0.94210521  1.0
  Lu  Lu10  1  0.42103274  0.21051587  0.94210521  1.0
  Lu  Lu11  1  0.21051587  0.78948413  0.05789479  1.0
  Lu  Lu12  1  0.21051587  0.42103274  0.05789479  1.0
  Lu  Lu13  1  0.57896726  0.78948413  0.05789479  1.0
  Lu  Lu14  1  0.54137472  0.45862528  0.25159724  1.0
  Lu  Lu15  1  0.54137472  0.08274944  0.25159724  1.0
  Lu  Lu16  1  0.91725056  0.45862528  0.25159724  1.0
  Lu  Lu17  1  0.45862528  0.54137472  0.74840276  1.0
  Lu  Lu18  1  0.45862528  0.91725056  0.74840276  1.0
  Lu  Lu19  1  0.08274944  0.54137472  0.74840276  1.0
  Cd  Cd20  1  0.88903271  0.11096729  0.25819170  1.0
  Cd  Cd21  1  0.88903271  0.77806642  0.25819170  1.0
  Cd  Cd22  1  0.22193358  0.11096729  0.25819170  1.0
  Cd  Cd23  1  0.11096729  0.88903271  0.74180830  1.0
  Cd  Cd24  1  0.11096729  0.22193358  0.74180830  1.0
  Cd  Cd25  1  0.77806642  0.88903271  0.74180830  1.0
  Ru  Ru26  1  0.33333300  0.66666700  0.25046492  1.0
  Ru  Ru27  1  0.66666700  0.33333300  0.74953508  1.0