data_Be2AsAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.6
_cell_length_b   3.6
_cell_length_c   5.91
_cell_angle_alpha   102.56
_cell_angle_beta   102.56
_cell_angle_gamma   49.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2AsAu
_chemical_formula_sum   'Be2 As1 Au1'
_cell_volume   56.98
_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  0.58  0.0  0.37  1.0
  Be  Be3  1  0.54  0.0  0.36  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Au  Au1  1  0.56  0.0  0.87  1.0

data_Be2AsAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   3.6
_cell_length_c   5.91
_cell_angle_alpha   102.56
_cell_angle_beta   90.0
_cell_angle_gamma   114.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2AsAu
_chemical_formula_sum   'Be2 As1 Au1'
_cell_volume   56.98
_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  0.42  0.63  1.0
  Be  Be1  1  0.0  0.46  0.64  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.44  0.13  1.0

Be Be As Au