data_Te2PdAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   125.66
_cell_angle_beta   125.66
_cell_angle_gamma   80.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2PdAu
_chemical_formula_sum   'Te2 Pd1 Au1'
_cell_volume   87.74
_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
  Te  Te2  1  0.36  0.0  0.97  1.0
  Te  Te3  1  0.0  0.36  0.97  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.94  1.0

data_Te2PdAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.67
_cell_length_b   6.67
_cell_length_c   5.16
_cell_angle_alpha   90.0
_cell_angle_beta   130.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Te2PdAu
_chemical_formula_sum   'Te4 Pd2 Au2'
_cell_volume   175.48
_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
  Te  Te0  4  0.32  0.32  0.61  1.0
  Pd  Pd1  2  0.0  0.0  0.0  1.0
  Au  Au2  2  0.0  0.0  0.94  1.0

Te Te Pd Au