# generated using pymatgen
data_LiScNi3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94241033
_cell_length_b   4.94241082
_cell_length_c   4.94241056
_cell_angle_alpha   57.54287975
_cell_angle_beta   57.54286734
_cell_angle_gamma   57.54288270
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiScNi3Ir
_chemical_formula_sum   'Li1 Sc1 Ni3 Ir1'
_cell_volume   80.54588704
_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  0.00278803  0.00278803  0.00278803  1.0
  Sc  Sc1  1  0.25133318  0.25133318  0.25133318  1.0
  Ni  Ni2  1  0.62424006  0.62424006  0.12276629  1.0
  Ni  Ni3  1  0.62424006  0.12276629  0.62424006  1.0
  Ni  Ni4  1  0.12276629  0.62424006  0.62424006  1.0
  Ir  Ir5  1  0.62463239  0.62463239  0.62463239  1.0