# generated using pymatgen
data_LiBIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52656440
_cell_length_b   5.52656302
_cell_length_c   6.06672534
_cell_angle_alpha   106.33950332
_cell_angle_beta   106.33950529
_cell_angle_gamma   112.47932064
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBIr
_chemical_formula_sum   'Li4 B4 Ir4'
_cell_volume   147.65551310
_cell_formula_units_Z   4
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  0.50000000  0.50000000  -0.00000000  1.0
  Li  Li1  1  0.50000000  -0.00000000  0.50000000  1.0
  Li  Li2  1  0.50000000  0.50000000  0.50000000  1.0
  Li  Li3  1  -0.00000000  0.50000000  -0.00000000  1.0
  B  B4  1  0.94829286  0.05170714  0.75000000  1.0
  B  B5  1  0.69829286  0.30170714  0.25000000  1.0
  B  B6  1  0.30170714  0.69829286  0.75000000  1.0
  B  B7  1  0.05170714  0.94829286  0.25000000  1.0
  Ir  Ir8  1  0.25808062  0.00808062  0.01616024  1.0
  Ir  Ir9  1  0.74191938  0.99191938  0.98383976  1.0
  Ir  Ir10  1  0.00808062  0.25808062  0.51616024  1.0
  Ir  Ir11  1  0.99191938  0.74191938  0.48383976  1.0