data_Be2NbBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   3.83
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   91.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2NbBi
_chemical_formula_sum   'Be2 Nb1 Bi1'
_cell_volume   68.81
_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
  Be  Be0  1  0.15  0.92  0.89  1.0
  Be  Be1  1  0.3  0.0  0.01  1.0
  Nb  Nb3  1  0.63  0.0  0.94  1.0
  Bi  Bi2  1  0.13  0.92  0.99  1.0

data_Be2NbBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   3.83
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   91.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2NbBi
_chemical_formula_sum   'Be2 Nb1 Bi1'
_cell_volume   68.81
_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
  Be  Be0  1  0.15  0.92  0.89  1.0
  Be  Be1  1  0.3  0.0  0.01  1.0
  Nb  Nb2  1  0.63  0.0  0.94  1.0
  Bi  Bi3  1  0.13  0.92  0.99  1.0

Be Be Nb Bi