data_Na2CoAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.22
_cell_length_b   10.22
_cell_length_c   10.22
_cell_angle_alpha   16.22
_cell_angle_beta   16.22
_cell_angle_gamma   16.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2CoAu
_chemical_formula_sum   'Na2 Co1 Au1'
_cell_volume   72.5
_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  Na2  1  0.0  0.0  0.64  1.0
  Na  Na3  1  0.0  0.0  0.6  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.12  1.0

data_Na2CoAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.99
_cell_length_b   2.88
_cell_length_c   10.22
_cell_angle_alpha   90.0
_cell_angle_beta   99.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Na2CoAu
_chemical_formula_sum   'Na4 Co2 Au2'
_cell_volume   145.0
_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  0.36  1.0
  Na  Na1  2  0.0  0.0  0.4  1.0
  Co  Co2  2  0.0  0.0  0.0  1.0
  Au  Au3  2  0.0  0.0  0.88  1.0

Na Na Co Au
Na Na Co Au 0 1 o o o 2 3 o o o 