# generated using pymatgen
data_CaErNbIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21730924
_cell_length_b   5.21730973
_cell_length_c   5.21730885
_cell_angle_alpha   65.31613000
_cell_angle_beta   65.31612869
_cell_angle_gamma   65.31613063
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaErNbIr3
_chemical_formula_sum   'Ca1 Er1 Nb1 Ir3'
_cell_volume   112.04618196
_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  0.24927035  0.24927035  0.24927035  1.0
  Er  Er1  1  0.99821632  0.99821632  0.99821632  1.0
  Nb  Nb2  1  0.62602752  0.62602752  0.62602752  1.0
  Ir  Ir3  1  0.62507686  0.12633209  0.62507686  1.0
  Ir  Ir4  1  0.62507686  0.62507686  0.12633209  1.0
  Ir  Ir5  1  0.12633209  0.62507686  0.62507686  1.0