data_TaBeNb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.73
_cell_length_b   4.57
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   98.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBeNb2
_chemical_formula_sum   'Ta1 Be1 Nb2'
_cell_volume   66.05
_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  Ta3  1  0.94  0.28  0.68  1.0
  Be  Be0  1  0.1  0.0  0.97  1.0
  Nb  Nb1  1  0.25  0.28  0.28  1.0
  Nb  Nb2  1  0.87  0.0  0.33  1.0

data_TaBeNb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   4.57
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   98.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBeNb2
_chemical_formula_sum   'Ta1 Be1 Nb2'
_cell_volume   66.05
_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  0.94  0.28  0.68  1.0
  Be  Be1  1  0.1  0.0  0.97  1.0
  Nb  Nb2  1  0.25  0.28  0.28  1.0
  Nb  Nb3  1  0.87  0.0  0.33  1.0

Ta Be Nb Nb