# generated using pymatgen
data_Sc3Tc2P3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63312067
_cell_length_b   6.69790139
_cell_length_c   3.51786285
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.68058187
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Tc2P3Ir
_chemical_formula_sum   'Sc3 Tc2 P3 Ir1'
_cell_volume   135.78601841
_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
  Sc  Sc0  1  0.00214140  0.40790158  0.50000000  1.0
  Sc  Sc1  1  0.59423982  0.59209842  0.50000000  1.0
  Sc  Sc2  1  0.40689452  0.00000000  0.50000000  1.0
  Tc  Tc3  1  0.99879194  0.75288260  0.00000000  1.0
  Tc  Tc4  1  0.24590934  0.24711740  0.00000000  1.0
  P  P5  1  0.66599072  0.33284760  0.00000000  1.0
  P  P6  1  0.33314112  0.66715240  0.00000000  1.0
  P  P7  1  0.00016079  1.00000000  0.50000000  1.0
  Ir  Ir8  1  0.75273033  0.00000000  0.00000000  1.0