# generated using pymatgen
data_Lu2Ni2B6Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.80898834
_cell_length_b   5.80898862
_cell_length_c   3.42641792
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.40569980
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu2Ni2B6Ir
_chemical_formula_sum   'Lu2 Ni2 B6 Ir1'
_cell_volume   115.28058521
_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  0.27302548  0.72697452  0.00000000  1.0
  Lu  Lu1  1  0.72697452  0.27302548  0.00000000  1.0
  Ni  Ni2  1  0.76207185  0.76207185  0.00000000  1.0
  Ni  Ni3  1  0.23792815  0.23792815  0.00000000  1.0
  B  B4  1  0.60828216  0.60828216  0.50000000  1.0
  B  B5  1  0.39171784  0.39171784  0.50000000  1.0
  B  B6  1  0.61322281  0.91235383  0.50000000  1.0
  B  B7  1  0.38677719  0.08764617  0.50000000  1.0
  B  B8  1  0.91235383  0.61322281  0.50000000  1.0
  B  B9  1  0.08764617  0.38677719  0.50000000  1.0
  Ir  Ir10  1  0.00000000  0.00000000  0.50000000  1.0