data_TcBiRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   3.83
_cell_length_c   5.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcBiRh2
_chemical_formula_sum   'Tc1 Bi1 Rh2'
_cell_volume   68.73
_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
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.99  1.0
  Rh  Rh1  1  0.5  0.92  0.68  1.0
  Rh  Rh2  1  0.5  0.92  0.3  1.0

data_TcBiRh2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.83
_cell_length_b   3.0
_cell_length_c   5.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TcBiRh2
_chemical_formula_sum   'Tc1 Bi1 Rh2'
_cell_volume   68.73
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Tc  Tc0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.0  0.0  0.99  1.0
  Rh  Rh2  1  0.92  0.5  0.3  1.0
  Rh  Rh3  1  0.92  0.5  0.68  1.0

Tc Bi Rh Rh
Tc Bi Rh Rh 0 1 o o - 0 2 o - - 0 2 - - - 0 3 o - o 0 3 - - o 1 2 o - o 1 2 - - o 1 3 o - + 1 3 - - + 2 3 o o o 