data_TaBeNb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   131.68
_cell_angle_beta   131.68
_cell_angle_gamma   70.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBeNb2
_chemical_formula_sum   'Ta1 Be1 Nb2'
_cell_volume   65.74
_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  0.0  0.0  0.03  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.02  0.0  0.01  1.0
  Nb  Nb2  1  0.0  0.02  0.01  1.0

data_TaBeNb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   4.94
_cell_angle_alpha   90.0
_cell_angle_beta   125.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaBeNb2
_chemical_formula_sum   'Ta2 Be2 Nb4'
_cell_volume   131.47
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.03  1.0
  Be  Be1  2  0.0  0.0  0.0  1.0
  Nb  Nb2  4  0.49  0.49  0.99  1.0

Ta Be Nb Nb