# generated using pymatgen
data_Er(ThPd4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87719400
_cell_length_b   5.87719313
_cell_length_c   9.67221300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999942
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er(ThPd4)3
_chemical_formula_sum   'Er1 Th3 Pd12'
_cell_volume   289.33200388
_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  0.33333300  0.66666700  0.25000000  1.0
  Th  Th1  1  0.00000000  0.00000000  0.49445829  1.0
  Th  Th2  1  0.00000000  0.00000000  0.00554171  1.0
  Th  Th3  1  0.66666700  0.33333300  0.75000000  1.0
  Pd  Pd4  1  0.49919224  0.50080776  0.49821233  1.0
  Pd  Pd5  1  0.49919224  0.99838347  0.49821233  1.0
  Pd  Pd6  1  0.00161653  0.50080776  0.49821233  1.0
  Pd  Pd7  1  0.49919224  0.50080776  0.00178767  1.0
  Pd  Pd8  1  0.49919224  0.99838347  0.00178767  1.0
  Pd  Pd9  1  0.00161653  0.50080776  0.00178767  1.0
  Pd  Pd10  1  0.82413013  0.64826025  0.25000000  1.0
  Pd  Pd11  1  0.35173975  0.17586987  0.25000000  1.0
  Pd  Pd12  1  0.82413013  0.17586987  0.25000000  1.0
  Pd  Pd13  1  0.17463269  0.34926438  0.75000000  1.0
  Pd  Pd14  1  0.65073562  0.82536731  0.75000000  1.0
  Pd  Pd15  1  0.17463269  0.82536731  0.75000000  1.0