# generated using pymatgen
data_LiZr2BIr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66442009
_cell_length_b   5.66442025
_cell_length_c   5.76263975
_cell_angle_alpha   59.42471808
_cell_angle_beta   59.42471710
_cell_angle_gamma   61.15054000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZr2BIr5
_chemical_formula_sum   'Li1 Zr2 B1 Ir5'
_cell_volume   130.66264440
_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  0.72415352  0.72415352  0.27584648  1.0
  Zr  Zr1  1  0.75031103  0.75031103  0.74968897  1.0
  Zr  Zr2  1  0.25031103  0.25031103  0.24968897  1.0
  B  B3  1  0.00036251  0.00036251  0.99963749  1.0
  Ir  Ir4  1  0.25717241  0.74742152  0.25257848  1.0
  Ir  Ir5  1  0.74742152  0.25717241  0.25257848  1.0
  Ir  Ir6  1  0.26567406  0.26567406  0.73432594  1.0
  Ir  Ir7  1  0.74742152  0.25717241  0.74282759  1.0
  Ir  Ir8  1  0.25717241  0.74742152  0.74282759  1.0