data_NaMg2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   4.19
_cell_length_c   6.55
_cell_angle_alpha   90.0
_cell_angle_beta   91.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMg2Au
_chemical_formula_sum   'Na1 Mg2 Au1'
_cell_volume   86.92
_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
  Na  Na3  1  0.12  0.0  0.12  1.0
  Mg  Mg1  1  0.99  0.0  0.18  1.0
  Mg  Mg2  1  0.36  0.09  0.07  1.0
  Au  Au0  1  0.65  0.09  0.44  1.0

data_NaMg2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.19
_cell_length_c   6.55
_cell_angle_alpha   90.0
_cell_angle_beta   91.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMg2Au
_chemical_formula_sum   'Na1 Mg2 Au1'
_cell_volume   86.92
_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
  Na  Na0  1  0.12  0.0  0.12  1.0
  Mg  Mg1  1  0.36  0.09  0.07  1.0
  Mg  Mg2  1  0.99  0.0  0.18  1.0
  Au  Au3  1  0.65  0.09  0.44  1.0

Na Mg Mg Au
Na Mg Mg Au 0 1 - o o 0 2 o o o 0 3 o o o 0 3 - o o 1 3 + o o 1 3 o o o 2 3 o o o 