data_Na2TeAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   5.5
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TeAu
_chemical_formula_sum   'Na2 Te1 Au1'
_cell_volume   99.26
_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  0.84  0.0  0.02  1.0
  Na  Na2  1  0.78  0.75  0.9  1.0
  Te  Te3  1  0.19  0.0  0.26  1.0
  Au  Au0  1  0.2  0.75  0.71  1.0

data_Na2TeAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   5.5
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TeAu
_chemical_formula_sum   'Na2 Te1 Au1'
_cell_volume   99.26
_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  0.78  0.75  0.9  1.0
  Na  Na1  1  0.84  0.0  0.02  1.0
  Te  Te2  1  0.19  0.0  0.26  1.0
  Au  Au3  1  0.2  0.75  0.71  1.0

Na Na Te Au