data_BeNb2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   4.42
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   95.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNb2Au
_chemical_formula_sum   'Be1 Nb2 Au1'
_cell_volume   64.68
_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  Be1  1  0.61  0.0  0.14  1.0
  Nb  Nb2  1  0.22  0.21  0.99  1.0
  Nb  Nb3  1  0.06  0.0  0.35  1.0
  Au  Au0  1  0.77  0.21  0.57  1.0

data_BeNb2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.42
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   95.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNb2Au
_chemical_formula_sum   'Be1 Nb2 Au1'
_cell_volume   64.68
_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  0.61  0.0  0.14  1.0
  Nb  Nb1  1  0.06  0.0  0.35  1.0
  Nb  Nb2  1  0.22  0.21  0.99  1.0
  Au  Au3  1  0.77  0.21  0.57  1.0

Be Nb Nb Au