data_TaBe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38
_cell_length_b   2.81
_cell_length_c   4.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBe
_chemical_formula_sum   'Ta2 Be2'
_cell_volume   54.01
_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  Ta2  1  0.29  0.4  0.97  1.0
  Ta  Ta3  1  0.1  0.4  0.42  1.0
  Be  Be0  1  0.29  0.0  0.13  1.0
  Be  Be1  1  0.1  0.0  0.25  1.0

data_TaBe
_symmetry_space_group_name_H-M   P2
_cell_length_a   4.38
_cell_length_b   2.81
_cell_length_c   4.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   TaBe
_chemical_formula_sum   'Ta2 Be2'
_cell_volume   54.01
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.1  0.4  0.77  1.0
  Be  Be1  2  0.1  0.0  0.94  1.0

Ta Ta Be Be