# generated using pymatgen
data_LiSc3P2Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41145118
_cell_length_b   6.41145094
_cell_length_c   3.80261890
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000634
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSc3P2Ir3
_chemical_formula_sum   'Li1 Sc3 P2 Ir3'
_cell_volume   135.37113477
_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  0.00000000  0.00000000  0.50000000  1.0
  Sc  Sc1  1  1.00000000  0.41569383  0.50000000  1.0
  Sc  Sc2  1  0.58430617  0.58430617  0.50000000  1.0
  Sc  Sc3  1  0.41569383  1.00000000  0.50000000  1.0
  P  P4  1  0.66666700  0.33333300  0.00000000  1.0
  P  P5  1  0.33333300  0.66666700  0.00000000  1.0
  Ir  Ir6  1  1.00000000  0.75451781  0.00000000  1.0
  Ir  Ir7  1  0.24548219  0.24548219  0.00000000  1.0
  Ir  Ir8  1  0.75451781  1.00000000  0.00000000  1.0