# generated using pymatgen
data_Sc7(PaIr2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77256930
_cell_length_b   7.90971172
_cell_length_c   7.98204279
_cell_angle_alpha   117.99517859
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc7(PaIr2)3
_chemical_formula_sum   'Sc7 Pa3 Ir6'
_cell_volume   321.80902415
_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  0.00130261  0.66419472  0.32895386  1.0
  Sc  Sc1  1  0.00136504  0.33448931  0.68078452  1.0
  Sc  Sc2  1  0.49863496  0.33448931  0.68078452  1.0
  Sc  Sc3  1  0.49869739  0.66419472  0.32895386  1.0
  Sc  Sc4  1  0.25000000  0.99699395  0.74250968  1.0
  Sc  Sc5  1  0.75000000  0.25402303  0.99551429  1.0
  Sc  Sc6  1  0.25000000  0.74315480  0.99738584  1.0
  Pa  Pa7  1  0.75000000  0.75137852  0.74659827  1.0
  Pa  Pa8  1  0.25000000  0.24941280  0.24421871  1.0
  Pa  Pa9  1  0.75000000  0.00469529  0.25713129  1.0
  Ir  Ir10  1  0.75000000  0.38408897  0.39429588  1.0
  Ir  Ir11  1  0.25000000  0.60385176  0.60376866  1.0
  Ir  Ir12  1  0.75000000  0.98563847  0.59713655  1.0
  Ir  Ir13  1  0.25000000  0.01225416  0.38973794  1.0
  Ir  Ir14  1  0.75000000  0.62109828  0.00114224  1.0
  Ir  Ir15  1  0.25000000  0.39604091  0.01108587  1.0