# generated using pymatgen
data_CaEr3Ir8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.30929950
_cell_length_b   5.30929871
_cell_length_c   8.64977637
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999270
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaEr3Ir8
_chemical_formula_sum   'Ca1 Er3 Ir8'
_cell_volume   211.15916115
_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  0.33333300  0.66666700  0.43494852  1.0
  Er  Er1  1  0.33333300  0.66666700  0.07348238  1.0
  Er  Er2  1  0.66666700  0.33333300  0.56343046  1.0
  Er  Er3  1  0.66666700  0.33333300  0.93096652  1.0
  Ir  Ir4  1  0.00000000  0.00000000  0.99989281  1.0
  Ir  Ir5  1  0.00000000  0.00000000  0.49958941  1.0
  Ir  Ir6  1  0.83014611  0.66029322  0.24772638  1.0
  Ir  Ir7  1  0.17010980  0.82989020  0.75150392  1.0
  Ir  Ir8  1  0.65978139  0.82989020  0.75150392  1.0
  Ir  Ir9  1  0.33970678  0.16985389  0.24772638  1.0
  Ir  Ir10  1  0.83014611  0.16985389  0.24772638  1.0
  Ir  Ir11  1  0.17010980  0.34021861  0.75150392  1.0