data_Ta2Be
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77
_cell_length_b   6.77
_cell_length_c   3.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2Be
_chemical_formula_sum   'Ta6 Be3'
_cell_volume   137.08
_cell_formula_units_Z   3
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  Ta3  1  0.73  0.0  0.73  1.0
  Ta  Ta4  1  0.14  0.5  0.73  1.0
  Ta  Ta5  1  0.52  0.37  0.73  1.0
  Ta  Ta6  1  0.03  0.0  0.0  1.0
  Ta  Ta7  1  0.98  0.49  0.0  1.0
  Ta  Ta8  1  0.37  0.37  0.0  1.0
  Be  Be0  1  0.0  0.91  0.73  1.0
  Be  Be1  1  0.38  0.95  0.73  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0

data_Ta2Be
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   6.77
_cell_length_c   6.77
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2Be
_chemical_formula_sum   'Ta6 Be3'
_cell_volume   137.08
_cell_formula_units_Z   3
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  0.03  0.0  1.0
  Ta  Ta1  1  0.0  0.37  0.37  1.0
  Ta  Ta2  1  0.0  0.98  0.49  1.0
  Ta  Ta3  1  0.73  0.14  0.5  1.0
  Ta  Ta4  1  0.73  0.52  0.37  1.0
  Ta  Ta5  1  0.73  0.73  0.0  1.0
  Be  Be6  1  0.0  0.0  0.0  1.0
  Be  Be7  1  0.73  0.0  0.91  1.0
  Be  Be8  1  0.73  0.38  0.95  1.0

Ta Ta Ta Ta Ta Ta Be Be Be