data_BeGe2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56
_cell_length_b   4.87
_cell_length_c   3.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGe2Au
_chemical_formula_sum   'Be1 Ge2 Au1'
_cell_volume   66.43
_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
  Ge  Ge2  1  0.85  0.44  0.89  1.0
  Ge  Ge3  1  0.69  0.44  0.93  1.0
  Au  Au0  1  0.77  0.0  0.91  1.0

data_BeGe2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   3.83
_cell_length_c   4.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGe2Au
_chemical_formula_sum   'Be1 Ge2 Au1'
_cell_volume   66.43
_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
  Ge  Ge1  1  0.15  0.11  0.56  1.0
  Ge  Ge2  1  0.31  0.07  0.56  1.0
  Au  Au3  1  0.23  0.09  0.0  1.0

Be Ge Ge Au