data_TeOsRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   5.47
_cell_angle_alpha   147.9
_cell_angle_beta   130.72
_cell_angle_gamma   60.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeOsRh2
_chemical_formula_sum   'Te1 Os1 Rh2'
_cell_volume   65.45
_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  0.7  1.0
  Os  Os0  1  0.51  0.0  0.55  1.0
  Rh  Rh1  1  0.0  0.0  0.06  1.0
  Rh  Rh2  1  0.0  0.28  0.16  1.0

data_TeOsRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.56
_cell_length_c   5.47
_cell_angle_alpha   114.64
_cell_angle_beta   106.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeOsRh2
_chemical_formula_sum   'Te1 Os1 Rh2'
_cell_volume   65.45
_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  0.7  0.7  1.0
  Os  Os1  1  0.0  0.55  0.04  1.0
  Rh  Rh2  1  0.0  0.06  0.06  1.0
  Rh  Rh3  1  0.72  0.88  0.88  1.0

Te Os Rh Rh
Te Os Rh Rh 0 3 o o + 0 1 - o o 1 2 o o o 1 2 + o + 1 3 + o + 2 3 o o o 