data_[Li4Al2Re2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Al  1.6100  1.2500  0.6750
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [3.1912]
_cell_length_b [4.2807]
_cell_length_c [9.0467]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [Li2AlRe]
_chemical_formula_sum '[Li4 Al2 Re2]'
_cell_volume [123.5826]
_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
[
  Li  Li0  2  0.0000  0.0000  0.0177  1
  Li  Li1  2  0.0000  0.5000  0.7328  1
  Al  Al2  2  0.0000  0.5000  0.2584  1
  Re  Re3  2  0.0000  0.0000  0.4911  1
]