# generated using pymatgen
data_Er3ThZnIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.51375527
_cell_length_b   9.51375539
_cell_length_c   9.51375604
_cell_angle_alpha   60.00000117
_cell_angle_beta   60.00000077
_cell_angle_gamma   59.99999893
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er3ThZnIr
_chemical_formula_sum   'Er12 Th4 Zn4 Ir4'
_cell_volume   608.89298696
_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
  Er  Er0  1  0.06102886  0.43897114  0.43897114  1.0
  Er  Er1  1  0.43897114  0.06102886  0.06102886  1.0
  Er  Er2  1  0.43897114  0.06102886  0.43897114  1.0
  Er  Er3  1  0.06102886  0.43897114  0.06102886  1.0
  Er  Er4  1  0.43897114  0.43897114  0.06102886  1.0
  Er  Er5  1  0.06102886  0.06102886  0.43897114  1.0
  Er  Er6  1  0.18474238  0.81525762  0.81525762  1.0
  Er  Er7  1  0.81525762  0.18474238  0.18474238  1.0
  Er  Er8  1  0.81525762  0.18474238  0.81525762  1.0
  Er  Er9  1  0.18474238  0.81525762  0.18474238  1.0
  Er  Er10  1  0.81525762  0.81525762  0.18474238  1.0
  Er  Er11  1  0.18474238  0.18474238  0.81525762  1.0
  Th  Th12  1  0.60451782  0.60451782  0.60451782  1.0
  Th  Th13  1  0.60451782  0.60451782  0.18644554  1.0
  Th  Th14  1  0.60451782  0.18644554  0.60451782  1.0
  Th  Th15  1  0.18644554  0.60451782  0.60451782  1.0
  Zn  Zn16  1  0.83365007  0.83365007  0.83365007  1.0
  Zn  Zn17  1  0.83365007  0.83365007  0.49904879  1.0
  Zn  Zn18  1  0.83365007  0.49904879  0.83365007  1.0
  Zn  Zn19  1  0.49904879  0.83365007  0.83365007  1.0
  Ir  Ir20  1  0.39272742  0.39272742  0.39272742  1.0
  Ir  Ir21  1  0.39272742  0.39272742  0.82181775  1.0
  Ir  Ir22  1  0.39272742  0.82181775  0.39272742  1.0
  Ir  Ir23  1  0.82181775  0.39272742  0.39272742  1.0