data_[Al16Re2Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Re  1.9000  1.3500  0.7125
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.9697]
_cell_length_b [6.7716]
_cell_length_c [11.8553]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Al8ReNi2]
_chemical_formula_sum '[Al16 Re2 Ni4]'
_cell_volume [318.6842]
_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
[
  Al  Al0  8  0.0000  0.2199  0.3385  1
  Al  Al1  4  0.0000  0.0000  0.1494  1
  Al  Al2  4  0.0000  0.3018  0.0000  1
  Re  Re3  2  0.0000  0.5000  0.5000  1
  Ni  Ni4  4  0.0000  0.5000  0.1852  1
]