data_BeIn2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.45
_cell_length_b   8.45
_cell_length_c   8.45
_cell_angle_alpha   22.62
_cell_angle_beta   22.62
_cell_angle_gamma   22.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeIn2Au
_chemical_formula_sum   'Be1 In2 Au1'
_cell_volume   78.29
_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
  In  In2  1  0.0  0.0  0.32  1.0
  In  In3  1  0.0  0.0  0.37  1.0
  Au  Au0  1  0.0  0.0  0.35  1.0

data_BeIn2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.74
_cell_length_b   3.31
_cell_length_c   8.45
_cell_angle_alpha   90.0
_cell_angle_beta   103.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeIn2Au
_chemical_formula_sum   'Be2 In4 Au2'
_cell_volume   156.58
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  In  In1  2  0.0  0.0  0.63  1.0
  In  In2  2  0.0  0.0  0.68  1.0
  Au  Au3  2  0.0  0.0  0.65  1.0

Be In In Au
Be In In Au 0 0 o + - 0 0 + - o 0 0 + o - 0 3 o o o 0 2 o o o 0 1 o o o 1 3 o o o 2 3 o o o 