# generated using pymatgen
data_Er(NbAl2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56795222
_cell_length_b   5.56795234
_cell_length_c   5.56795258
_cell_angle_alpha   104.01090408
_cell_angle_beta   104.01089607
_cell_angle_gamma   121.05006354
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er(NbAl2)2
_chemical_formula_sum   'Er1 Nb2 Al4'
_cell_volume   128.74430246
_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
  Er  Er0  1  0.00000000  0.00000000  0.00000000  1.0
  Nb  Nb1  1  0.75000000  0.25000000  0.50000000  1.0
  Nb  Nb2  1  0.25000000  0.75000000  0.50000000  1.0
  Al  Al3  1  0.30540239  0.30540239  0.61080478  1.0
  Al  Al4  1  0.69459761  0.30540239  0.00000000  1.0
  Al  Al5  1  0.30540239  0.69459761  1.00000000  1.0
  Al  Al6  1  0.69459761  0.69459761  0.38919522  1.0