# generated using pymatgen
data_LiSc2BIr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64900280
_cell_length_b   5.64900233
_cell_length_c   5.69304824
_cell_angle_alpha   59.74171923
_cell_angle_beta   59.74172200
_cell_angle_gamma   60.51652012
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSc2BIr5
_chemical_formula_sum   'Li1 Sc2 B1 Ir5'
_cell_volume   128.44584397
_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  0.73123126  0.73123126  0.26876874  1.0
  Sc  Sc1  1  0.74920978  0.74920978  0.75079022  1.0
  Sc  Sc2  1  0.24920978  0.24920978  0.25079022  1.0
  B  B3  1  0.00434821  0.00434821  0.99565179  1.0
  Ir  Ir4  1  0.25728238  0.74286208  0.25713792  1.0
  Ir  Ir5  1  0.74286208  0.25728238  0.25713792  1.0
  Ir  Ir6  1  0.26571203  0.26571203  0.73428797  1.0
  Ir  Ir7  1  0.74286208  0.25728238  0.74271762  1.0
  Ir  Ir8  1  0.25728238  0.74286208  0.74271762  1.0