# generated using pymatgen
data_LiLuNi3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82749393
_cell_length_b   4.98133178
_cell_length_c   4.82749267
_cell_angle_alpha   61.01644083
_cell_angle_beta   59.99999540
_cell_angle_gamma   61.01643863
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLuNi3Ir
_chemical_formula_sum   'Li1 Lu1 Ni3 Ir1'
_cell_volume   83.32550778
_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  0.74801174  0.75596479  0.74801174  1.0
  Lu  Lu1  1  0.49927963  0.50216011  0.49927963  1.0
  Ni  Ni2  1  0.12564925  0.12194612  0.12564925  1.0
  Ni  Ni3  1  0.62675438  0.12194612  0.12564925  1.0
  Ni  Ni4  1  0.12564925  0.12194612  0.62675438  1.0
  Ir  Ir5  1  0.12465476  0.62603573  0.12465476  1.0