data_ScTlRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   141.24
_cell_angle_beta   141.24
_cell_angle_gamma   55.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTlRh
_chemical_formula_sum   'Sc1 Tl1 Rh1'
_cell_volume   57.83
_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
  Sc  Sc1  1  0.0  0.0  0.08  1.0
  Tl  Tl2  1  0.0  0.0  0.16  1.0
  Rh  Rh0  1  0.0  0.0  0.12  1.0

data_ScTlRh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   117.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScTlRh
_chemical_formula_sum   'Sc2 Tl2 Rh2'
_cell_volume   115.66
_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
  Sc  Sc0  2  0.0  0.0  0.92  1.0
  Tl  Tl1  2  0.0  0.0  0.84  1.0
  Rh  Rh2  2  0.0  0.0  0.88  1.0

Sc Tl Rh
Sc Tl Rh 0 2 o o o 1 2 o o o 