data_NaSr2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.1
_cell_length_b   10.1
_cell_length_c   10.1
_cell_angle_alpha   25.87
_cell_angle_beta   25.87
_cell_angle_gamma   25.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSr2Au
_chemical_formula_sum   'Na1 Sr2 Au1'
_cell_volume   172.59
_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  Na1  1  0.0  0.0  0.0  1.0
  Sr  Sr2  1  0.0  0.0  0.61  1.0
  Sr  Sr3  1  0.0  0.0  0.66  1.0
  Au  Au0  1  0.0  0.0  0.63  1.0

data_NaSr2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.83
_cell_length_b   4.52
_cell_length_c   10.1
_cell_angle_alpha   90.0
_cell_angle_beta   104.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaSr2Au
_chemical_formula_sum   'Na2 Sr4 Au2'
_cell_volume   345.18
_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
  Na  Na0  2  0.0  0.0  0.0  1.0
  Sr  Sr1  2  0.0  0.0  0.34  1.0
  Sr  Sr2  2  0.0  0.0  0.39  1.0
  Au  Au3  2  0.0  0.0  0.37  1.0

Na Sr Sr Au