data_TaB2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   38.59
_cell_angle_beta   38.59
_cell_angle_gamma   38.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaB2Rh
_chemical_formula_sum   'Ta1 B2 Rh1'
_cell_volume   45.28
_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  0.02  1.0
  B  B0  1  0.0  0.0  0.64  1.0
  B  B1  1  0.0  0.0  0.39  1.0
  Rh  Rh2  1  0.0  0.0  0.0  1.0

data_TaB2Rh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.79
_cell_length_b   3.34
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   112.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaB2Rh
_chemical_formula_sum   'Ta2 B4 Rh2'
_cell_volume   90.57
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.98  1.0
  B  B1  2  0.0  0.0  0.36  1.0
  B  B2  2  0.0  0.0  0.61  1.0
  Rh  Rh3  2  0.0  0.0  0.0  1.0

Ta B B Rh
Ta B B Rh 0 3 o o o 1 2 o o o 