data_ScTaTl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   6.03
_cell_angle_alpha   148.57
_cell_angle_beta   126.1
_cell_angle_gamma   63.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTaTl2
_chemical_formula_sum   'Sc1 Ta1 Tl2'
_cell_volume   91.24
_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
  Ta  Ta1  1  0.0  0.0  0.12  1.0
  Tl  Tl2  1  0.63  0.0  0.6  1.0
  Tl  Tl3  1  0.0  0.73  0.51  1.0

data_ScTaTl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   5.46
_cell_length_c   6.03
_cell_angle_alpha   116.95
_cell_angle_beta   105.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTaTl2
_chemical_formula_sum   'Sc1 Ta1 Tl2'
_cell_volume   91.24
_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
  Ta  Ta1  1  0.0  0.12  0.12  1.0
  Tl  Tl2  1  0.0  0.6  0.97  1.0
  Tl  Tl3  1  0.27  0.78  0.78  1.0

Sc Ta Tl Tl