data_[Al2Re2H8]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.6205]
_cell_length_b [4.8148]
_cell_length_c [5.3823]
_cell_angle_alpha [97.3957]
_cell_angle_beta [98.2262]
_cell_angle_gamma [108.4151]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [AlReH4]
_chemical_formula_sum '[Al2 Re2 H8]'
_cell_volume [110.4915]
_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  1  0.0240  0.3796  0.5189  1
  Al  Al1  1  0.8283  0.1180  0.9893  1
  Re  Re2  1  0.4369  0.3214  0.2512  1
  Re  Re3  1  0.6102  0.4901  0.7372  1
  H  H4  1  0.2493  0.5574  0.1808  1
  H  H5  1  0.2992  0.2792  0.9023  1
  H  H6  1  0.3456  0.9617  0.1242  1
  H  H7  1  0.3730  0.1227  0.5158  1
  H  H8  1  0.4710  0.7670  0.8338  1
  H  H9  1  0.6835  0.6933  0.4890  1
  H  H10  1  0.7169  0.5565  0.0951  1
  H  H11  1  0.9623  0.7530  0.8625  1
]