# generated using pymatgen
data_Er3ThCdRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.58715821
_cell_length_b   9.58715866
_cell_length_c   9.58715872
_cell_angle_alpha   59.99999979
_cell_angle_beta   59.99999821
_cell_angle_gamma   59.99999645
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er3ThCdRu
_chemical_formula_sum   'Er12 Th4 Cd4 Ru4'
_cell_volume   623.09563720
_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  0.06239412  0.43760588  0.43760588  1.0
  Er  Er1  1  0.43760588  0.06239412  0.06239412  1.0
  Er  Er2  1  0.43760588  0.06239412  0.43760588  1.0
  Er  Er3  1  0.06239412  0.43760588  0.06239412  1.0
  Er  Er4  1  0.43760588  0.43760588  0.06239412  1.0
  Er  Er5  1  0.06239412  0.06239412  0.43760588  1.0
  Er  Er6  1  0.18562508  0.81437492  0.81437492  1.0
  Er  Er7  1  0.81437492  0.18562508  0.18562508  1.0
  Er  Er8  1  0.81437492  0.18562508  0.81437492  1.0
  Er  Er9  1  0.18562508  0.81437492  0.18562508  1.0
  Er  Er10  1  0.81437492  0.81437492  0.18562508  1.0
  Er  Er11  1  0.18562508  0.18562508  0.81437492  1.0
  Th  Th12  1  0.59850250  0.59850250  0.59850250  1.0
  Th  Th13  1  0.59850250  0.59850250  0.20449151  1.0
  Th  Th14  1  0.59850250  0.20449151  0.59850250  1.0
  Th  Th15  1  0.20449151  0.59850250  0.59850250  1.0
  Cd  Cd16  1  0.83190524  0.83190524  0.83190524  1.0
  Cd  Cd17  1  0.83190524  0.83190524  0.50428327  1.0
  Cd  Cd18  1  0.83190524  0.50428327  0.83190524  1.0
  Cd  Cd19  1  0.50428327  0.83190524  0.83190524  1.0
  Ru  Ru20  1  0.39291378  0.39291378  0.39291378  1.0
  Ru  Ru21  1  0.39291378  0.39291378  0.82125965  1.0
  Ru  Ru22  1  0.39291378  0.82125965  0.39291378  1.0
  Ru  Ru23  1  0.82125965  0.39291378  0.39291378  1.0