# generated using pymatgen
data_CaEr(NiIr)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15455717
_cell_length_b   5.15455718
_cell_length_c   5.03413927
_cell_angle_alpha   60.76982772
_cell_angle_beta   60.76982764
_cell_angle_gamma   62.12164660
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaEr(NiIr)2
_chemical_formula_sum   'Ca1 Er1 Ni2 Ir2'
_cell_volume   97.13960276
_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  0.00202748  0.00202748  0.99797252  1.0
  Er  Er1  1  0.75010055  0.75010055  0.74989945  1.0
  Ni  Ni2  1  0.37461943  0.37461943  0.37507257  1.0
  Ni  Ni3  1  0.37461943  0.37461943  0.87568857  1.0
  Ir  Ir4  1  0.87450590  0.37412721  0.37568295  1.0
  Ir  Ir5  1  0.37412721  0.87450590  0.37568295  1.0