data_[Ta2Be2Al4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Be  1.5700  1.0500  0.5900
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.6735]
_cell_length_b [2.9719]
_cell_length_c [4.4346]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0861]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TaBeAl2]
_chemical_formula_sum '[Ta2 Be2 Al4]'
_cell_volume [118.1370]
_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
[
  Ta  Ta0  2  0.2298  0.0000  0.6990  1
  Be  Be1  2  0.4943  0.0000  0.5451  1
  Al  Al2  2  0.0013  0.0000  0.0138  1
  Al  Al3  2  0.2746  0.5000  0.2420  1
]