data_BeNi2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31
_cell_length_b   4.31
_cell_length_c   2.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNi2Au
_chemical_formula_sum   'Be1 Ni2 Au1'
_cell_volume   49.24
_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  0.0  1.0
  Ni  Ni2  1  0.28  0.74  0.39  1.0
  Ni  Ni3  1  0.28  0.26  0.39  1.0
  Au  Au0  1  0.55  0.0  0.0  1.0

data_BeNi2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.31
_cell_length_c   4.31
_cell_angle_alpha   107.34
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNi2Au
_chemical_formula_sum   'Be1 Ni2 Au1'
_cell_volume   49.24
_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  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.39  0.28  0.74  1.0
  Ni  Ni2  1  0.39  0.28  0.26  1.0
  Au  Au3  1  0.0  0.55  0.0  1.0

Be Ni Ni Au