data_[Er2Al16Ni6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Al  1.6100  1.2500  0.6750
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [6.9711]
_cell_length_b [3.8206]
_cell_length_c [14.6238]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [ErAl8Ni3]
_chemical_formula_sum '[Er2 Al16 Ni6]'
_cell_volume [389.4817]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.8803  1
  Al  Al1  4  0.2000  0.0000  0.6850  1
  Al  Al2  4  0.2832  0.0000  0.5105  1
  Al  Al3  4  0.3088  0.0000  0.3120  1
  Al  Al4  2  0.0000  0.0000  0.0786  1
  Al  Al5  2  0.5000  0.0000  0.9263  1
  Ni  Ni6  2  0.0000  0.0000  0.2389  1
  Ni  Ni7  2  0.5000  0.0000  0.0984  1
  Ni  Ni8  2  0.5000  0.0000  0.7625  1
]