# generated using pymatgen
data_Er3Th(Si3Pd)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.10604758
_cell_length_b   8.10604764
_cell_length_c   8.22270113
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999174
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er3Th(Si3Pd)2
_chemical_formula_sum   'Er6 Th2 Si12 Pd4'
_cell_volume   467.91123519
_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  0.49979749  0.50020251  0.75000000  1.0
  Er  Er1  1  0.50020251  0.49979749  0.25000000  1.0
  Er  Er2  1  0.00040501  0.50020251  0.75000000  1.0
  Er  Er3  1  0.99959499  0.49979749  0.25000000  1.0
  Er  Er4  1  0.49979749  0.99959499  0.75000000  1.0
  Er  Er5  1  0.50020251  0.00040501  0.25000000  1.0
  Th  Th6  1  0.00000000  0.00000000  0.75000000  1.0
  Th  Th7  1  0.00000000  0.00000000  0.25000000  1.0
  Si  Si8  1  0.83257344  0.16742656  0.99975917  1.0
  Si  Si9  1  0.16742656  0.83257344  0.00024083  1.0
  Si  Si10  1  0.33485312  0.16742656  0.99975917  1.0
  Si  Si11  1  0.16742656  0.83257344  0.49975917  1.0
  Si  Si12  1  0.66514688  0.83257344  0.00024083  1.0
  Si  Si13  1  0.83257344  0.16742656  0.50024083  1.0
  Si  Si14  1  0.83257344  0.66514688  0.99975917  1.0
  Si  Si15  1  0.66514688  0.83257344  0.49975917  1.0
  Si  Si16  1  0.16742656  0.33485312  0.00024083  1.0
  Si  Si17  1  0.33485312  0.16742656  0.50024083  1.0
  Si  Si18  1  0.16742656  0.33485312  0.49975917  1.0
  Si  Si19  1  0.83257344  0.66514688  0.50024083  1.0
  Pd  Pd20  1  0.66666700  0.33333300  0.99974746  1.0
  Pd  Pd21  1  0.33333300  0.66666700  0.00025254  1.0
  Pd  Pd22  1  0.33333300  0.66666700  0.49974746  1.0
  Pd  Pd23  1  0.66666700  0.33333300  0.50025254  1.0