# generated using pymatgen
data_GdScB6Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56426232
_cell_length_b   9.03249388
_cell_length_c   11.41001084
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GdScB6Ir
_chemical_formula_sum   'Gd4 Sc4 B24 Ir4'
_cell_volume   367.33591524
_cell_formula_units_Z   4
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
  Gd  Gd0  1  0.50000000  0.32021095  0.41438844  1.0
  Gd  Gd1  1  0.50000000  0.67978905  0.58561156  1.0
  Gd  Gd2  1  0.50000000  0.17978905  0.91438844  1.0
  Gd  Gd3  1  0.50000000  0.82021095  0.08561156  1.0
  Sc  Sc4  1  0.50000000  0.44531565  0.12400130  1.0
  Sc  Sc5  1  0.50000000  0.55468435  0.87599870  1.0
  Sc  Sc6  1  0.50000000  0.05468435  0.62400130  1.0
  Sc  Sc7  1  0.50000000  0.94531565  0.37599870  1.0
  B  B8  1  0.00000000  0.10041685  0.47314284  1.0
  B  B9  1  0.00000000  0.89958315  0.52685716  1.0
  B  B10  1  0.00000000  0.39958315  0.97314284  1.0
  B  B11  1  0.00000000  0.60041685  0.02685716  1.0
  B  B12  1  0.00000000  0.12990667  0.31841952  1.0
  B  B13  1  0.00000000  0.87009333  0.68158048  1.0
  B  B14  1  0.00000000  0.37009333  0.81841952  1.0
  B  B15  1  0.00000000  0.62990667  0.18158048  1.0
  B  B16  1  0.00000000  0.05562147  0.06694552  1.0
  B  B17  1  0.00000000  0.94437853  0.93305448  1.0
  B  B18  1  0.00000000  0.44437853  0.56694552  1.0
  B  B19  1  0.00000000  0.55562147  0.43305448  1.0
  B  B20  1  0.00000000  0.48268248  0.28444056  1.0
  B  B21  1  0.00000000  0.51731752  0.71555944  1.0
  B  B22  1  0.00000000  0.01731752  0.78444056  1.0
  B  B23  1  0.00000000  0.98268248  0.21555944  1.0
  B  B24  1  0.00000000  0.25429000  0.08126627  1.0
  B  B25  1  0.00000000  0.74571000  0.91873373  1.0
  B  B26  1  0.00000000  0.24571000  0.58126627  1.0
  B  B27  1  0.00000000  0.75429000  0.41873373  1.0
  B  B28  1  0.00000000  0.29550601  0.23515366  1.0
  B  B29  1  0.00000000  0.70449399  0.76484634  1.0
  B  B30  1  0.00000000  0.20449399  0.73515366  1.0
  B  B31  1  0.00000000  0.79550601  0.26484634  1.0
  Ir  Ir32  1  0.50000000  0.14154364  0.18210576  1.0
  Ir  Ir33  1  0.50000000  0.85845636  0.81789424  1.0
  Ir  Ir34  1  0.50000000  0.35845636  0.68210576  1.0
  Ir  Ir35  1  0.50000000  0.64154364  0.31789424  1.0