# generated using pymatgen
data_CaErB4Ir5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.47791428
_cell_length_b   6.31220631
_cell_length_c   5.58156703
_cell_angle_alpha   77.64368910
_cell_angle_beta   55.54390826
_cell_angle_gamma   46.81241293
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaErB4Ir5
_chemical_formula_sum   'Ca1 Er1 B4 Ir5'
_cell_volume   151.67656198
_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  0.64338854  0.64338754  0.35661146  1.0
  Er  Er1  1  0.36533931  0.36533831  0.63466069  1.0
  B  B2  1  0.28759626  0.97404684  0.02595216  1.0
  B  B3  1  0.02543884  0.70877567  0.29122233  1.0
  B  B4  1  0.97404784  0.28759426  0.71240374  1.0
  B  B5  1  0.70877767  0.02543784  0.97456116  1.0
  Ir  Ir6  1  0.99651448  0.99651448  0.00348552  1.0
  Ir  Ir7  1  0.49999406  0.49999506  0.00000494  1.0
  Ir  Ir8  1  0.24945497  0.24945597  0.25054503  1.0
  Ir  Ir9  1  0.99999506  0.99999506  0.50000594  1.0
  Ir  Ir10  1  0.74945597  0.74945497  0.75054503  1.0