data_SnTeAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48
_cell_length_b   6.48
_cell_length_c   6.48
_cell_angle_alpha   150.54
_cell_angle_beta   144.46
_cell_angle_gamma   46.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnTeAu
_chemical_formula_sum   'Sn1 Te1 Au1'
_cell_volume   77.63
_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
  Sn  Sn1  1  0.0  0.0  0.54  1.0
  Te  Te2  1  0.0  0.0  0.23  1.0
  Au  Au0  1  0.0  0.0  0.13  1.0

data_SnTeAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   3.96
_cell_length_c   6.48
_cell_angle_alpha   107.77
_cell_angle_beta   104.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnTeAu
_chemical_formula_sum   'Sn1 Te1 Au1'
_cell_volume   77.63
_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
  Sn  Sn0  1  0.0  0.54  0.54  1.0
  Te  Te1  1  0.0  0.23  0.23  1.0
  Au  Au2  1  0.0  0.13  0.13  1.0

Sn Te Au
Sn Te Au 0 1 o o o 1 2 o o o 