data_Ti2BeNb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   4.54
_cell_length_c   4.86
_cell_angle_alpha   90.0
_cell_angle_beta   94.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2BeNb
_chemical_formula_sum   'Ti2 Be1 Nb1'
_cell_volume   62.27
_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
  Ti  Ti2  1  0.14  0.0  0.24  1.0
  Ti  Ti3  1  0.7  0.27  0.05  1.0
  Be  Be0  1  0.54  0.0  0.58  1.0
  Nb  Nb1  1  0.32  0.27  0.4  1.0

data_Ti2BeNb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.54
_cell_length_c   4.86
_cell_angle_alpha   90.0
_cell_angle_beta   94.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2BeNb
_chemical_formula_sum   'Ti2 Be1 Nb1'
_cell_volume   62.27
_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
  Ti  Ti0  1  0.14  0.0  0.24  1.0
  Ti  Ti1  1  0.7  0.27  0.05  1.0
  Be  Be2  1  0.54  0.0  0.58  1.0
  Nb  Nb3  1  0.32  0.27  0.4  1.0

Ti Ti Be Nb