data_Be2NiAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67
_cell_length_b   4.6
_cell_length_c   4.6
_cell_angle_alpha   35.01
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2NiAu
_chemical_formula_sum   'Be2 Ni1 Au1'
_cell_volume   44.54
_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  0.0  0.0  0.09  1.0
  Be  Be2  1  0.83  0.0  0.35  1.0
  Ni  Ni3  1  0.0  0.0  0.55  1.0
  Au  Au0  1  0.83  0.0  0.9  1.0

data_Be2NiAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   3.67
_cell_length_c   4.6
_cell_angle_alpha   90.0
_cell_angle_beta   107.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2NiAu
_chemical_formula_sum   'Be2 Ni1 Au1'
_cell_volume   44.54
_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  0.65  0.83  0.65  1.0
  Be  Be1  1  0.91  0.0  0.91  1.0
  Ni  Ni2  1  0.45  0.0  0.45  1.0
  Au  Au3  1  0.1  0.83  0.1  1.0

Be Be Ni Au