data_Sc2TlSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   3.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TlSb
_chemical_formula_sum   'Sc2 Tl1 Sb1'
_cell_volume   93.96
_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  0.66  0.09  0.69  1.0
  Sc  Sc2  1  0.66  0.91  0.69  1.0
  Tl  Tl3  1  0.32  0.0  0.0  1.0
  Sb  Sb0  1  0.0  0.0  0.0  1.0

data_Sc2TlSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   103.2
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TlSb
_chemical_formula_sum   'Sc2 Tl1 Sb1'
_cell_volume   93.96
_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  Sc0  1  0.69  0.66  0.09  1.0
  Sc  Sc1  1  0.69  0.66  0.91  1.0
  Tl  Tl2  1  -0.0  0.32  0.0  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0

Sc Sc Tl Sb