data_NbTl2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   5.36
_cell_angle_alpha   133.74
_cell_angle_beta   133.74
_cell_angle_gamma   67.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTl2Rh
_chemical_formula_sum   'Nb1 Tl2 Rh1'
_cell_volume   79.15
_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
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.0  0.0  0.46  1.0
  Tl  Tl3  1  0.0  0.11  0.23  1.0
  Rh  Rh1  1  0.11  0.0  0.23  1.0

data_NbTl2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.21
_cell_length_b   4.21
_cell_length_c   5.36
_cell_angle_alpha   113.13
_cell_angle_beta   113.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTl2Rh
_chemical_formula_sum   'Nb1 Tl2 Rh1'
_cell_volume   79.15
_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
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.54  0.0  0.54  1.0
  Tl  Tl2  1  0.88  0.11  0.88  1.0
  Rh  Rh3  1  0.77  0.0  0.88  1.0

Nb Tl Tl Rh
Nb Tl Tl Rh 0 2 o o o 0 3 o o o 1 2 o o o 1 3 o o o 2 3 o o o 