data_Te2OsAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   5.53
_cell_angle_alpha   135.18
_cell_angle_beta   135.18
_cell_angle_gamma   65.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2OsAu
_chemical_formula_sum   'Te2 Os1 Au1'
_cell_volume   82.75
_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  0.0  0.11  0.33  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.0  0.0  0.66  1.0
  Au  Au0  1  0.11  0.0  0.33  1.0

data_Te2OsAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.22
_cell_length_b   4.22
_cell_length_c   5.53
_cell_angle_alpha   112.41
_cell_angle_beta   112.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2OsAu
_chemical_formula_sum   'Te2 Os1 Au1'
_cell_volume   82.75
_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
  Te  Te1  1  0.22  0.33  0.22  1.0
  Os  Os2  1  0.66  0.66  0.66  1.0
  Au  Au3  1  0.33  0.22  0.22  1.0

Te Te Os Au