# generated using pymatgen
data_ScPIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34634545
_cell_length_b   6.34634545
_cell_length_c   3.91412633
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999505
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScPIr
_chemical_formula_sum   'Sc3 P3 Ir3'
_cell_volume   136.52522720
_cell_formula_units_Z   3
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
  Sc  Sc0  1  0.00000000  0.41946679  0.50000000  1.0
  Sc  Sc1  1  0.58053321  0.58053321  0.50000000  1.0
  Sc  Sc2  1  0.41946679  0.00000000  0.50000000  1.0
  P  P3  1  0.66666700  0.33333300  -0.00000000  1.0
  P  P4  1  0.33333300  0.66666700  -0.00000000  1.0
  P  P5  1  0.00000000  0.00000000  0.50000000  1.0
  Ir  Ir6  1  -0.00000000  0.75034332  -0.00000000  1.0
  Ir  Ir7  1  0.24965668  0.24965668  -0.00000000  1.0
  Ir  Ir8  1  0.75034332  -0.00000000  0.00000000  1.0