# generated using pymatgen
data_Er4ReB12Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64022015
_cell_length_b   9.09334622
_cell_length_c   11.47090468
_cell_angle_alpha   90.31023757
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er4ReB12Ir
_chemical_formula_sum   'Er8 Re2 B24 Ir2'
_cell_volume   379.70182099
_cell_formula_units_Z   2
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  0.00000000  0.31579867  0.40938171  1.0
  Er  Er1  1  0.00000000  0.68420133  0.59061829  1.0
  Er  Er2  1  0.00000000  0.82646176  0.08179812  1.0
  Er  Er3  1  0.00000000  0.17353824  0.91820188  1.0
  Er  Er4  1  0.00000000  0.94621268  0.37257018  1.0
  Er  Er5  1  0.00000000  0.05378732  0.62742982  1.0
  Er  Er6  1  0.00000000  0.44175811  0.12520587  1.0
  Er  Er7  1  0.00000000  0.55824189  0.87479413  1.0
  Re  Re8  1  0.00000000  0.13802070  0.18002050  1.0
  Re  Re9  1  0.00000000  0.86197930  0.81997950  1.0
  B  B10  1  0.50000000  0.55379334  0.43407350  1.0
  B  B11  1  0.50000000  0.44620666  0.56592650  1.0
  B  B12  1  0.50000000  0.05276072  0.06725166  1.0
  B  B13  1  0.50000000  0.94723928  0.93274834  1.0
  B  B14  1  0.50000000  0.74908609  0.42154548  1.0
  B  B15  1  0.50000000  0.25091391  0.57845452  1.0
  B  B16  1  0.50000000  0.24758226  0.08045979  1.0
  B  B17  1  0.50000000  0.75241774  0.91954021  1.0
  B  B18  1  0.50000000  0.79075853  0.26621463  1.0
  B  B19  1  0.50000000  0.20924147  0.73378537  1.0
  B  B20  1  0.50000000  0.29246192  0.23415760  1.0
  B  B21  1  0.50000000  0.70753808  0.76584240  1.0
  B  B22  1  0.50000000  0.63172388  0.18388705  1.0
  B  B23  1  0.50000000  0.36827612  0.81611295  1.0
  B  B24  1  0.50000000  0.13171763  0.31469124  1.0
  B  B25  1  0.50000000  0.86828237  0.68530876  1.0
  B  B26  1  0.50000000  0.98205565  0.21312988  1.0
  B  B27  1  0.50000000  0.01794435  0.78687012  1.0
  B  B28  1  0.50000000  0.48229689  0.28696208  1.0
  B  B29  1  0.50000000  0.51770311  0.71303792  1.0
  B  B30  1  0.50000000  0.60887343  0.03059175  1.0
  B  B31  1  0.50000000  0.39112657  0.96940825  1.0
  B  B32  1  0.50000000  0.10914721  0.47038145  1.0
  B  B33  1  0.50000000  0.89085279  0.52961855  1.0
  Ir  Ir34  1  0.00000000  0.63666087  0.32238651  1.0
  Ir  Ir35  1  0.00000000  0.36333913  0.67761349  1.0