data_GaTeAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   3.24
_cell_length_c   8.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaTeAu2
_chemical_formula_sum   'Ga1 Te1 Au2'
_cell_volume   85.72
_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
  Ga  Ga2  1  0.0  0.0  0.51  1.0
  Te  Te3  1  0.05  0.0  0.99  1.0
  Au  Au0  1  0.0  0.0  0.13  1.0
  Au  Au1  1  0.05  0.0  0.17  1.0

data_GaTeAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   3.24
_cell_length_c   8.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaTeAu2
_chemical_formula_sum   'Ga1 Te1 Au2'
_cell_volume   85.72
_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
  Ga  Ga0  1  0.0  0.0  0.51  1.0
  Te  Te1  1  0.05  0.0  0.99  1.0
  Au  Au2  1  0.0  0.0  0.13  1.0
  Au  Au3  1  0.05  0.0  0.17  1.0

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