data_TaOs2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   4.79
_cell_angle_alpha   131.4
_cell_angle_beta   131.4
_cell_angle_gamma   71.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaOs2Rh
_chemical_formula_sum   'Ta1 Os2 Rh1'
_cell_volume   60.5
_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
  Ta  Ta3  1  0.97  0.0  0.95  1.0
  Os  Os0  1  0.0  0.0  0.89  1.0
  Os  Os1  1  0.0  0.97  0.95  1.0
  Rh  Rh2  1  0.0  0.0  0.0  1.0

data_TaOs2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   3.94
_cell_length_c   4.79
_cell_angle_alpha   114.3
_cell_angle_beta   114.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaOs2Rh
_chemical_formula_sum   'Ta1 Os2 Rh1'
_cell_volume   60.5
_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
  Ta  Ta0  1  0.95  0.98  0.98  1.0
  Os  Os1  1  0.89  0.89  0.89  1.0
  Os  Os2  1  0.98  0.95  0.98  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

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