# generated using pymatgen
data_La5Sc3(P7Ir8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95050974
_cell_length_b   12.66586674
_cell_length_c   13.14406665
_cell_angle_alpha   81.61823791
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La5Sc3(P7Ir8)2
_chemical_formula_sum   'La5 Sc3 P14 Ir16'
_cell_volume   650.65992415
_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
  La  La0  1  0.25000000  0.51696858  0.29320900  1.0
  La  La1  1  0.75000000  0.71793663  0.89472980  1.0
  La  La2  1  0.25000000  0.10598298  0.78741707  1.0
  La  La3  1  0.75000000  0.89580876  0.21226953  1.0
  La  La4  1  0.25000000  0.28225369  0.10192801  1.0
  Sc  Sc5  1  0.75000000  0.79355366  0.55749721  1.0
  Sc  Sc6  1  0.25000000  0.20418403  0.44556540  1.0
  Sc  Sc7  1  0.75000000  0.47887390  0.70459070  1.0
  P  P8  1  0.25000000  0.90923063  0.41668189  1.0
  P  P9  1  0.75000000  0.47197290  0.12396685  1.0
  P  P10  1  0.25000000  0.52886502  0.86647831  1.0
  P  P11  1  0.75000000  0.09182802  0.58727931  1.0
  P  P12  1  0.25000000  0.74343551  0.08388859  1.0
  P  P13  1  0.75000000  0.25794415  0.91453344  1.0
  P  P14  1  0.75000000  0.15678162  0.28801348  1.0
  P  P15  1  0.25000000  0.83975755  0.71185903  1.0
  P  P16  1  0.25000000  0.05436717  0.10008800  1.0
  P  P17  1  0.75000000  0.94599049  0.89954729  1.0
  P  P18  1  0.25000000  0.31939777  0.68544459  1.0
  P  P19  1  0.75000000  0.68640953  0.31867943  1.0
  P  P20  1  0.25000000  0.60845369  0.56660968  1.0
  P  P21  1  0.75000000  0.38393569  0.43884567  1.0
  Ir  Ir22  1  0.25000000  0.98880543  0.57531648  1.0
  Ir  Ir23  1  0.75000000  0.01363772  0.42716428  1.0
  Ir  Ir24  1  0.25000000  0.65819125  0.72402852  1.0
  Ir  Ir25  1  0.75000000  0.33624966  0.27396227  1.0
  Ir  Ir26  1  0.25000000  0.55148740  0.04668659  1.0
  Ir  Ir27  1  0.75000000  0.45118785  0.94470207  1.0
  Ir  Ir28  1  0.25000000  0.06471182  0.27721172  1.0
  Ir  Ir29  1  0.75000000  0.93371837  0.72346893  1.0
  Ir  Ir30  1  0.25000000  0.42193171  0.52533603  1.0
  Ir  Ir31  1  0.75000000  0.57870601  0.48317673  1.0
  Ir  Ir32  1  0.25000000  0.91645911  0.99776345  1.0
  Ir  Ir33  1  0.75000000  0.08477289  0.00116936  1.0
  Ir  Ir34  1  0.25000000  0.73066269  0.40574977  1.0
  Ir  Ir35  1  0.75000000  0.27092617  0.59968154  1.0
  Ir  Ir36  1  0.25000000  0.34497327  0.85257469  1.0
  Ir  Ir37  1  0.75000000  0.65964870  0.14288529  1.0