data_ScTlRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   3.48
_cell_angle_alpha   91.05
_cell_angle_beta   91.05
_cell_angle_gamma   90.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTlRh2
_chemical_formula_sum   'Sc1 Tl1 Rh2'
_cell_volume   68.13
_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  Sc2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.11  0.0  0.0  1.0
  Rh  Rh0  1  0.51  0.42  0.74  1.0
  Rh  Rh1  1  0.51  0.58  0.74  1.0

data_ScTlRh2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.48
_cell_length_b   4.42
_cell_length_c   4.42
_cell_angle_alpha   90.0
_cell_angle_beta   91.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ScTlRh2
_chemical_formula_sum   'Sc1 Tl1 Rh2'
_cell_volume   68.15
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.0  0.11  1.0
  Rh  Rh2  2  0.74  0.42  0.51  1.0

Sc Tl Rh Rh