data_[Be2Al4Sb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Al  1.6100  1.2500  0.6750
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.9475]
_cell_length_b [3.5036]
_cell_length_c [5.9958]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7640]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BeAl2Sb]
_chemical_formula_sum '[Be2 Al4 Sb2]'
_cell_volume [151.6005]
_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
[
  Be  Be0  2  0.0280  0.5000  0.3813  1
  Al  Al1  2  0.3055  0.5000  0.3304  1
  Al  Al2  2  0.4938  0.5000  0.0503  1
  Sb  Sb3  2  0.1728  0.0000  0.7379  1
]