# generated using pymatgen
data_ErTh3(B4Ir)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.08572160
_cell_length_b   7.08572234
_cell_length_c   7.08572207
_cell_angle_alpha   111.68438657
_cell_angle_beta   111.68437724
_cell_angle_gamma   105.13017749
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErTh3(B4Ir)4
_chemical_formula_sum   'Er1 Th3 B16 Ir4'
_cell_volume   272.69383297
_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  0.21493774  0.21493774  1.00000000  1.0
  Th  Th1  1  0.24846569  0.74846569  0.50000000  1.0
  Th  Th2  1  0.74846569  0.24846569  0.50000000  1.0
  Th  Th3  1  0.78759037  0.78759037  0.00000000  1.0
  B  B4  1  0.11220186  0.11220186  0.52720056  1.0
  B  B5  1  0.58500130  0.58500130  0.47279944  1.0
  B  B6  1  0.88672885  0.88672885  0.47184698  1.0
  B  B7  1  0.58500130  0.11220186  1.00000000  1.0
  B  B8  1  0.11220186  0.58500130  1.00000000  1.0
  B  B9  1  0.88672885  0.41488187  0.00000000  1.0
  B  B10  1  0.41488187  0.88672885  0.00000000  1.0
  B  B11  1  0.41488187  0.41488187  0.52815302  1.0
  B  B12  1  0.10829718  0.26457171  0.37083758  1.0
  B  B13  1  0.26457171  0.89373413  0.15627453  1.0
  B  B14  1  0.73745960  0.10829718  0.84372547  1.0
  B  B15  1  0.10829718  0.73745960  0.84372547  1.0
  B  B16  1  0.89373413  0.26457171  0.15627453  1.0
  B  B17  1  0.89373413  0.73745960  0.62916242  1.0
  B  B18  1  0.73745960  0.89373413  0.62916242  1.0
  B  B19  1  0.26457171  0.10829718  0.37083758  1.0
  Ir  Ir20  1  0.49869638  0.73719523  0.23849885  1.0
  Ir  Ir21  1  0.73719523  0.49869638  0.23849885  1.0
  Ir  Ir22  1  0.26019953  0.49869638  0.76150115  1.0
  Ir  Ir23  1  0.49869638  0.26019953  0.76150115  1.0