# generated using pymatgen
data_NdEr3(Si3Ir)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.14031577
_cell_length_b   8.14031529
_cell_length_c   7.97719614
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999793
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdEr3(Si3Ir)2
_chemical_formula_sum   'Nd2 Er6 Si12 Ir4'
_cell_volume   457.78692991
_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
  Nd  Nd0  1  0.00000000  0.00000000  0.25000000  1.0
  Nd  Nd1  1  0.00000000  0.00000000  0.75000000  1.0
  Er  Er2  1  0.49085030  0.50914970  0.25000000  1.0
  Er  Er3  1  0.49085030  0.98169959  0.25000000  1.0
  Er  Er4  1  0.01830041  0.50914970  0.25000000  1.0
  Er  Er5  1  0.50914970  0.49085030  0.75000000  1.0
  Er  Er6  1  0.98169959  0.49085030  0.75000000  1.0
  Er  Er7  1  0.50914970  0.01830041  0.75000000  1.0
  Si  Si8  1  0.83159535  0.16840465  0.50044528  1.0
  Si  Si9  1  0.83159535  0.66319171  0.50044528  1.0
  Si  Si10  1  0.33680829  0.16840465  0.50044528  1.0
  Si  Si11  1  0.83159535  0.16840465  0.99955472  1.0
  Si  Si12  1  0.83159535  0.66319171  0.99955472  1.0
  Si  Si13  1  0.33680829  0.16840465  0.99955472  1.0
  Si  Si14  1  0.16840465  0.83159535  0.00044528  1.0
  Si  Si15  1  0.66319171  0.83159535  0.00044528  1.0
  Si  Si16  1  0.16840465  0.33680829  0.00044528  1.0
  Si  Si17  1  0.16840465  0.83159535  0.49955472  1.0
  Si  Si18  1  0.66319171  0.83159535  0.49955472  1.0
  Si  Si19  1  0.16840465  0.33680829  0.49955472  1.0
  Ir  Ir20  1  0.66666700  0.33333300  0.46712129  1.0
  Ir  Ir21  1  0.66666700  0.33333300  0.03287871  1.0
  Ir  Ir22  1  0.33333300  0.66666700  0.96712129  1.0
  Ir  Ir23  1  0.33333300  0.66666700  0.53287871  1.0