# generated using pymatgen
data_Lu3Cu2Ni6Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.90379039
_cell_length_b   4.90378975
_cell_length_c   16.26959876
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999786
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu3Cu2Ni6Ir
_chemical_formula_sum   'Lu6 Cu4 Ni12 Ir2'
_cell_volume   338.82170475
_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
  Lu  Lu0  1  0.33333300  0.66666700  0.54261564  1.0
  Lu  Lu1  1  0.66666700  0.33333300  0.04261564  1.0
  Lu  Lu2  1  0.66666700  0.33333300  0.45738436  1.0
  Lu  Lu3  1  0.33333300  0.66666700  0.95738436  1.0
  Lu  Lu4  1  0.33333300  0.66666700  0.75000000  1.0
  Lu  Lu5  1  0.66666700  0.33333300  0.25000000  1.0
  Cu  Cu6  1  0.33333300  0.66666700  0.25000000  1.0
  Cu  Cu7  1  0.66666700  0.33333300  0.75000000  1.0
  Cu  Cu8  1  0.00000000  0.00000000  0.25000000  1.0
  Cu  Cu9  1  0.00000000  0.00000000  0.75000000  1.0
  Ni  Ni10  1  0.16818792  0.33637783  0.12852653  1.0
  Ni  Ni11  1  0.83181208  0.66362217  0.62852653  1.0
  Ni  Ni12  1  0.66362217  0.83181208  0.12852653  1.0
  Ni  Ni13  1  0.16818792  0.83181208  0.12852653  1.0
  Ni  Ni14  1  0.83181208  0.16818792  0.62852653  1.0
  Ni  Ni15  1  0.33637783  0.16818792  0.62852653  1.0
  Ni  Ni16  1  0.83181208  0.66362217  0.87147347  1.0
  Ni  Ni17  1  0.83181208  0.16818792  0.87147347  1.0
  Ni  Ni18  1  0.33637783  0.16818792  0.87147347  1.0
  Ni  Ni19  1  0.66362217  0.83181208  0.37147347  1.0
  Ni  Ni20  1  0.16818792  0.83181208  0.37147347  1.0
  Ni  Ni21  1  0.16818792  0.33637783  0.37147347  1.0
  Ir  Ir22  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir23  1  0.00000000  0.00000000  0.50000000  1.0