# generated using pymatgen
data_Li3Lu(SiIr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.98421307
_cell_length_b   6.78750728
_cell_length_c   6.78855813
_cell_angle_alpha   91.48520151
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Lu(SiIr)4
_chemical_formula_sum   'Li3 Lu1 Si4 Ir4'
_cell_volume   183.52045621
_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  0.75000000  0.51709800  0.81475904  1.0
  Li  Li1  1  0.25000000  0.99021005  0.34234159  1.0
  Li  Li2  1  0.75000000  0.00655300  0.66554394  1.0
  Lu  Lu3  1  0.25000000  0.49486378  0.16131551  1.0
  Si  Si4  1  0.25000000  0.69947446  0.62994041  1.0
  Si  Si5  1  0.25000000  0.19002796  0.86278708  1.0
  Si  Si6  1  0.75000000  0.28498879  0.38621297  1.0
  Si  Si7  1  0.75000000  0.81393378  0.13455568  1.0
  Ir  Ir8  1  0.25000000  0.85034739  0.94362954  1.0
  Ir  Ir9  1  0.25000000  0.34921294  0.56341773  1.0
  Ir  Ir10  1  0.75000000  0.64656736  0.44105965  1.0
  Ir  Ir11  1  0.75000000  0.15672251  0.05443584  1.0