data_Ta2BeAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   4.56
_cell_angle_alpha   115.37
_cell_angle_beta   115.37
_cell_angle_gamma   31.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2BeAl
_chemical_formula_sum   'Ta2 Be1 Al1'
_cell_volume   60.7
_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  0.21  0.0  0.13  1.0
  Ta  Ta3  1  0.98  0.0  0.02  1.0
  Be  Be1  1  0.23  0.0  0.03  1.0
  Al  Al0  1  0.83  0.0  0.95  1.0

data_Ta2BeAl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.56
_cell_length_c   5.3
_cell_angle_alpha   115.37
_cell_angle_beta   105.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2BeAl
_chemical_formula_sum   'Ta2 Be1 Al1'
_cell_volume   60.7
_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  0.02  0.98  1.0
  Ta  Ta1  1  0.0  0.13  0.21  1.0
  Be  Be2  1  0.0  0.03  0.23  1.0
  Al  Al3  1  0.0  0.95  0.83  1.0

Ta Ta Be Al
Ta Ta Be Al 0 2 o o o 1 3 o o - 