# generated using pymatgen
data_CeEr7(Si3Ir)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11561833
_cell_length_b   8.11561828
_cell_length_c   7.88918992
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000422
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeEr7(Si3Ir)4
_chemical_formula_sum   'Ce1 Er7 Si12 Ir4'
_cell_volume   449.99350998
_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
  Ce  Ce0  1  0.00000000  0.00000000  0.25000000  1.0
  Er  Er1  1  0.00000000  0.00000000  0.75000000  1.0
  Er  Er2  1  0.49096405  0.50903595  0.25000000  1.0
  Er  Er3  1  0.49096405  0.98193010  0.25000000  1.0
  Er  Er4  1  0.01806990  0.50903595  0.25000000  1.0
  Er  Er5  1  0.50999370  0.49000630  0.75000000  1.0
  Er  Er6  1  0.98001160  0.49000630  0.75000000  1.0
  Er  Er7  1  0.50999370  0.01998840  0.75000000  1.0
  Si  Si8  1  0.83318468  0.16681532  0.50023688  1.0
  Si  Si9  1  0.83318468  0.66636936  0.50023688  1.0
  Si  Si10  1  0.33363064  0.16681532  0.50023688  1.0
  Si  Si11  1  0.83318468  0.16681532  0.99976312  1.0
  Si  Si12  1  0.83318468  0.66636936  0.99976312  1.0
  Si  Si13  1  0.33363064  0.16681532  0.99976312  1.0
  Si  Si14  1  0.16752111  0.83247889  0.99750761  1.0
  Si  Si15  1  0.66495878  0.83247889  0.99750761  1.0
  Si  Si16  1  0.16752111  0.33504122  0.99750761  1.0
  Si  Si17  1  0.16752111  0.83247889  0.50249239  1.0
  Si  Si18  1  0.66495878  0.83247889  0.50249239  1.0
  Si  Si19  1  0.16752111  0.33504122  0.50249239  1.0
  Ir  Ir20  1  0.66666700  0.33333300  0.47218656  1.0
  Ir  Ir21  1  0.66666700  0.33333300  0.02781344  1.0
  Ir  Ir22  1  0.33333300  0.66666700  0.96481100  1.0
  Ir  Ir23  1  0.33333300  0.66666700  0.53518900  1.0