data_TeOsAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   3.51
_cell_angle_alpha   107.5
_cell_angle_beta   107.5
_cell_angle_gamma   123.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeOsAu2
_chemical_formula_sum   'Te1 Os1 Au2'
_cell_volume   77.18
_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  0.76  0.0  0.0  1.0
  Au  Au0  1  0.38  0.59  0.0  1.0
  Au  Au1  1  0.38  0.41  0.0  1.0

data_TeOsAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   4.24
_cell_length_c   5.86
_cell_angle_alpha   111.13
_cell_angle_beta   107.36
_cell_angle_gamma   90.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeOsAu2
_chemical_formula_sum   'Te1 Os1 Au2'
_cell_volume   77.18
_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  0.24  0.24  1.0
  Au  Au2  1  0.41  0.62  0.03  1.0
  Au  Au3  1  0.59  0.62  0.21  1.0

Te Os Au Au