data_BeFeAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   148.5
_cell_angle_beta   129.72
_cell_angle_gamma   60.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeFeAu2
_chemical_formula_sum   'Be1 Fe1 Au2'
_cell_volume   56.77
_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  Be2  1  0.0  0.0  0.53  1.0
  Fe  Fe3  1  0.0  0.22  0.94  1.0
  Au  Au0  1  0.0  0.0  1.0  1.0
  Au  Au1  1  0.42  0.0  0.58  1.0

data_BeFeAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.44
_cell_length_c   5.22
_cell_angle_alpha   115.14
_cell_angle_beta   105.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeFeAu2
_chemical_formula_sum   'Be1 Fe1 Au2'
_cell_volume   56.77
_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  0.53  0.53  1.0
  Fe  Fe1  1  0.78  0.72  0.72  1.0
  Au  Au2  1  0.0  0.58  0.17  1.0
  Au  Au3  1  0.0  1.0  1.0  1.0

Be Fe Au Au