data_ScTl2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   5.44
_cell_angle_alpha   134.03
_cell_angle_beta   134.03
_cell_angle_gamma   67.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTl2Tc
_chemical_formula_sum   'Sc1 Tl2 Tc1'
_cell_volume   81.95
_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  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.0  0.0  0.54  1.0
  Tl  Tl3  1  0.0  0.12  0.27  1.0
  Tc  Tc1  1  0.12  0.0  0.27  1.0

data_ScTl2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.25
_cell_length_b   4.25
_cell_length_c   5.44
_cell_angle_alpha   112.98
_cell_angle_beta   112.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTl2Tc
_chemical_formula_sum   'Sc1 Tl2 Tc1'
_cell_volume   81.95
_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  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.46  0.0  0.46  1.0
  Tl  Tl2  1  0.86  0.12  0.86  1.0
  Tc  Tc3  1  0.73  0.0  0.86  1.0

Sc Tl Tl Tc