data_TaBRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.22
_cell_length_b   4.22
_cell_length_c   4.79
_cell_angle_alpha   112.35
_cell_angle_beta   112.35
_cell_angle_gamma   43.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBRh2
_chemical_formula_sum   'Ta1 B1 Rh2'
_cell_volume   53.65
_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  0.93  0.0  0.18  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.2  0.0  0.99  1.0
  Rh  Rh2  1  0.66  0.0  0.38  1.0

data_TaBRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.22
_cell_length_c   4.79
_cell_angle_alpha   112.35
_cell_angle_beta   90.0
_cell_angle_gamma   111.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBRh2
_chemical_formula_sum   'Ta1 B1 Rh2'
_cell_volume   53.65
_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  0.07  0.82  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.0  0.34  0.62  1.0
  Rh  Rh3  1  0.0  0.8  0.01  1.0

Ta B Rh Rh