data_[Er9Nb3Al24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Nb  1.6000  1.4500  0.8200
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.4191]
_cell_length_b [5.4191]
_cell_length_c [26.6828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Er3NbAl8]
_chemical_formula_sum '[Er9 Nb3 Al24]'
_cell_volume [678.5970]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3753  1.0
  Er  Er1  3  0.0000  0.0000  0.5012  1.0
  Er  Er2  3  0.0000  0.0000  0.9982  1.0
  Nb  Nb3  3  0.0000  0.0000  0.8750  1.0
  Al  Al4  9  0.0016  0.5008  0.4399  1.0
  Al  Al5  9  0.1675  0.3350  0.2686  1.0
  Al  Al6  3  0.0000  0.0000  0.1878  1.0
  Al  Al7  3  0.0000  0.0000  0.6870  1.0
]