data_[Er4Al16Ni3]
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 [P4/mmm]
_cell_length_a [6.0396]
_cell_length_b [6.0396]
_cell_length_c [11.0390]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Er4Al16Ni3]
_chemical_formula_sum '[Er4 Al16 Ni3]'
_cell_volume [402.6676]
_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  4  0.0000  0.5000  0.1906  1
  Al  Al1  8  0.2544  0.2544  0.3807  1
  Al  Al2  4  0.2789  0.2789  0.0000  1
  Al  Al3  2  0.0000  0.0000  0.2202  1
  Al  Al4  2  0.5000  0.5000  0.1974  1
  Ni  Ni5  2  0.0000  0.5000  0.5000  1
  Ni  Ni6  1  0.0000  0.0000  0.0000  1
]