data_TaBe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   2.87
_cell_length_c   8.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBe
_chemical_formula_sum   'Ta2 Be2'
_cell_volume   57.93
_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  0.44  0.83  0.75  1.0
  Ta  Ta3  1  0.0  0.66  0.36  1.0
  Be  Be0  1  0.44  0.83  0.37  1.0
  Be  Be1  1  0.0  0.66  0.74  1.0

data_TaBe
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.87
_cell_length_b   2.87
_cell_length_c   8.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TaBe
_chemical_formula_sum   'Ta2 Be2'
_cell_volume   57.93
_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  0.22  0.59  0.7  1.0
  Be  Be1  2  0.22  0.59  0.32  1.0

Ta Ta Be Be