data_TaRe2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.73
_cell_length_b   2.73
_cell_length_c   8.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaRe2Rh
_chemical_formula_sum   'Ta1 Re2 Rh1'
_cell_volume   62.3
_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  0.0  0.0  0.29  1.0
  Re  Re0  1  0.72  0.0  0.54  1.0
  Re  Re1  1  0.72  0.0  0.03  1.0
  Rh  Rh2  1  0.0  0.0  0.0  1.0

data_TaRe2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   2.73
_cell_length_c   8.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaRe2Rh
_chemical_formula_sum   'Ta1 Re2 Rh1'
_cell_volume   62.3
_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  0.0  0.0  0.29  1.0
  Re  Re1  1  0.72  0.0  0.03  1.0
  Re  Re2  1  0.72  0.0  0.54  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

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