data_NaTeAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   136.49
_cell_angle_beta   130.31
_cell_angle_gamma   68.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTeAu2
_chemical_formula_sum   'Na1 Te1 Au2'
_cell_volume   88.27
_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  0.61  1.0
  Te  Te3  1  0.0  0.33  0.51  1.0
  Au  Au0  1  0.0  0.0  0.01  1.0
  Au  Au1  1  0.06  0.0  0.06  1.0

data_NaTeAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.11
_cell_length_b   4.67
_cell_length_c   5.55
_cell_angle_alpha   114.85
_cell_angle_beta   111.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTeAu2
_chemical_formula_sum   'Na1 Te1 Au2'
_cell_volume   88.27
_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  0.0  0.61  0.61  1.0
  Te  Te1  1  0.67  0.18  0.18  1.0
  Au  Au2  1  0.0  0.01  0.01  1.0
  Au  Au3  1  0.0  0.06  0.0  1.0

Na Te Au Au
Na Te Au Au 0 1 o o o 0 3 o o + 0 2 o o + 1 3 o o o 1 2 o o o 2 3 o o o 