# generated using pymatgen
data_CaErFeIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11585049
_cell_length_b   5.11585044
_cell_length_c   5.11585050
_cell_angle_alpha   64.30776950
_cell_angle_beta   64.30776488
_cell_angle_gamma   64.30777309
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaErFeIr3
_chemical_formula_sum   'Ca1 Er1 Fe1 Ir3'
_cell_volume   103.63486761
_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
  Ca  Ca0  1  0.99974972  0.99974972  0.99974972  1.0
  Er  Er1  1  0.25127382  0.25127382  0.25127382  1.0
  Fe  Fe2  1  0.62440541  0.62440541  0.62440541  1.0
  Ir  Ir3  1  0.62516743  0.62516743  0.12423519  1.0
  Ir  Ir4  1  0.62516743  0.12423519  0.62516743  1.0
  Ir  Ir5  1  0.12423519  0.62516743  0.62516743  1.0