# generated using pymatgen
data_Er3Pa(Al3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.51105318
_cell_length_b   7.51688543
_cell_length_c   9.33310486
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.52781008
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er3Pa(Al3Ir)6
_chemical_formula_sum   'Er3 Pa1 Al18 Ir6'
_cell_volume   458.50318663
_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
  Er  Er0  1  0.00435818  0.32827826  0.75000000  1.0
  Er  Er1  1  0.67313156  0.99313494  0.25000000  1.0
  Er  Er2  1  0.32843919  0.00525302  0.75000000  1.0
  Pa  Pa3  1  0.99618938  0.67239116  0.25000000  1.0
  Al  Al4  1  0.13393241  0.13251918  0.25000000  1.0
  Al  Al5  1  0.87123134  0.87370701  0.75000000  1.0
  Al  Al6  1  0.00107002  0.33198890  0.07363607  1.0
  Al  Al7  1  0.99872910  0.66447103  0.92082960  1.0
  Al  Al8  1  0.99872910  0.66447103  0.57917040  1.0
  Al  Al9  1  0.33996664  0.00483643  0.42611474  1.0
  Al  Al10  1  0.00107002  0.33198890  0.42636393  1.0
  Al  Al11  1  0.66459441  0.99988167  0.57443810  1.0
  Al  Al12  1  0.66459441  0.99988167  0.92556190  1.0
  Al  Al13  1  0.33996664  0.00483643  0.07388526  1.0
  Al  Al14  1  0.33193063  0.33228359  0.55368010  1.0
  Al  Al15  1  0.66302657  0.66547602  0.45215346  1.0
  Al  Al16  1  0.66302657  0.66547602  0.04784654  1.0
  Al  Al17  1  0.33193063  0.33228359  0.94631990  1.0
  Al  Al18  1  0.34047580  0.54705378  0.25000000  1.0
  Al  Al19  1  0.65807200  0.44907686  0.75000000  1.0
  Al  Al20  1  0.54781936  0.34210405  0.25000000  1.0
  Al  Al21  1  0.44944241  0.66099666  0.75000000  1.0
  Ir  Ir22  1  0.67433096  0.32973651  0.00172204  1.0
  Ir  Ir23  1  0.32528425  0.67221174  0.00210202  1.0
  Ir  Ir24  1  0.32528425  0.67221174  0.49789798  1.0
  Ir  Ir25  1  0.67433096  0.32973651  0.49827796  1.0
  Ir  Ir26  1  0.99952010  0.99685614  0.00287675  1.0
  Ir  Ir27  1  0.99952010  0.99685614  0.49712325  1.0