data_MgBeAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   135.59
_cell_angle_beta   135.59
_cell_angle_gamma   64.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBeAu2
_chemical_formula_sum   'Mg1 Be1 Au2'
_cell_volume   62.52
_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
  Mg  Mg3  1  0.91  0.0  0.14  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.28  1.0
  Au  Au1  1  0.0  0.91  0.14  1.0

data_MgBeAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   3.82
_cell_length_c   5.06
_cell_angle_alpha   112.2
_cell_angle_beta   112.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBeAu2
_chemical_formula_sum   'Mg1 Be1 Au2'
_cell_volume   62.52
_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
  Mg  Mg0  1  0.14  0.23  0.23  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.23  0.14  0.23  1.0
  Au  Au3  1  0.28  0.28  0.28  1.0

Mg Be Au Au