data_Ta2BeAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   135.33
_cell_angle_beta   129.27
_cell_angle_gamma   69.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2BeAl
_chemical_formula_sum   'Ta2 Be1 Al1'
_cell_volume   61.68
_cell_formula_units_Z   1
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  Ta2  1  0.85  0.0  0.86  1.0
  Ta  Ta3  1  0.0  0.09  0.13  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.0  0.0  0.99  1.0

data_Ta2BeAl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   4.17
_cell_length_c   4.87
_cell_angle_alpha   115.36
_cell_angle_beta   112.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2BeAl
_chemical_formula_sum   'Ta2 Be1 Al1'
_cell_volume   61.68
_cell_formula_units_Z   1
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  1  0.0  0.86  0.01  1.0
  Ta  Ta1  1  0.91  0.04  0.04  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Al  Al3  1  0.0  0.99  0.99  1.0

Ta Ta Be Al