# generated using pymatgen
data_Lu2Ni3BIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65939255
_cell_length_b   5.65939187
_cell_length_c   5.54037131
_cell_angle_alpha   59.28678877
_cell_angle_beta   59.28679339
_cell_angle_gamma   59.99999471
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu2Ni3BIr3
_chemical_formula_sum   'Lu2 Ni3 B1 Ir3'
_cell_volume   124.10708669
_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
  Lu  Lu0  1  0.75470638  0.75470638  0.73587985  1.0
  Lu  Lu1  1  0.24991329  0.24991329  0.25026014  1.0
  Ni  Ni2  1  0.73827159  0.73827159  0.25281872  1.0
  Ni  Ni3  1  0.27063709  0.73827159  0.25281872  1.0
  Ni  Ni4  1  0.73827159  0.27063709  0.25281872  1.0
  B  B5  1  0.98990648  0.98990648  0.03027955  1.0
  Ir  Ir6  1  0.25745552  0.25745552  0.74170943  1.0
  Ir  Ir7  1  0.74337953  0.25745552  0.74170943  1.0
  Ir  Ir8  1  0.25745552  0.74337953  0.74170943  1.0