data_TeOsAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   5.94
_cell_angle_alpha   149.82
_cell_angle_beta   133.25
_cell_angle_gamma   56.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeOsAu2
_chemical_formula_sum   'Te1 Os1 Au2'
_cell_volume   76.02
_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  Te3  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.0  0.0  0.22  1.0
  Au  Au0  1  0.0  0.35  0.4  1.0
  Au  Au1  1  0.54  0.0  0.82  1.0

data_TeOsAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.71
_cell_length_c   5.94
_cell_angle_alpha   113.38
_cell_angle_beta   105.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeOsAu2
_chemical_formula_sum   'Te1 Os1 Au2'
_cell_volume   76.02
_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  Te0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.0  0.22  0.22  1.0
  Au  Au2  1  0.0  0.82  0.28  1.0
  Au  Au3  1  0.65  0.05  0.05  1.0

Te Os Au Au