# generated using pymatgen
data_ErLu3(Si3Ir)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.07238655
_cell_length_b   8.07238766
_cell_length_c   7.71958029
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000351
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErLu3(Si3Ir)2
_chemical_formula_sum   'Er2 Lu6 Si12 Ir4'
_cell_volume   435.64051758
_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  0.00000000  0.00000000  0.75000000  1.0
  Er  Er1  1  0.00000000  0.00000000  0.25000000  1.0
  Lu  Lu2  1  0.97822821  0.48911361  0.25000000  1.0
  Lu  Lu3  1  0.51088639  0.48911361  0.25000000  1.0
  Lu  Lu4  1  0.48911361  0.97822821  0.75000000  1.0
  Lu  Lu5  1  0.02177179  0.51088639  0.75000000  1.0
  Lu  Lu6  1  0.48911361  0.51088639  0.75000000  1.0
  Lu  Lu7  1  0.51088639  0.02177179  0.25000000  1.0
  Si  Si8  1  0.16676097  0.83323903  0.49765451  1.0
  Si  Si9  1  0.16676097  0.33352295  0.49765451  1.0
  Si  Si10  1  0.66647705  0.83323903  0.49765451  1.0
  Si  Si11  1  0.33352295  0.16676097  0.99765451  1.0
  Si  Si12  1  0.83323903  0.66647705  0.50234549  1.0
  Si  Si13  1  0.83323903  0.16676097  0.99765451  1.0
  Si  Si14  1  0.83323903  0.66647705  0.99765451  1.0
  Si  Si15  1  0.16676097  0.33352295  0.00234549  1.0
  Si  Si16  1  0.66647705  0.83323903  0.00234549  1.0
  Si  Si17  1  0.33352295  0.16676097  0.50234549  1.0
  Si  Si18  1  0.83323903  0.16676097  0.50234549  1.0
  Si  Si19  1  0.16676097  0.83323903  0.00234549  1.0
  Ir  Ir20  1  0.33333300  0.66666700  0.03492363  1.0
  Ir  Ir21  1  0.66666700  0.33333300  0.96507637  1.0
  Ir  Ir22  1  0.66666700  0.33333300  0.53492363  1.0
  Ir  Ir23  1  0.33333300  0.66666700  0.46507637  1.0