data_Sc2TaTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   6.09
_cell_angle_alpha   148.66
_cell_angle_beta   130.52
_cell_angle_gamma   59.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TaTl
_chemical_formula_sum   'Sc2 Ta1 Tl1'
_cell_volume   88.39
_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  0.43  1.0
  Sc  Sc1  1  0.64  0.0  0.8  1.0
  Ta  Ta2  1  0.0  0.0  0.34  1.0
  Tl  Tl3  1  0.0  0.55  0.55  1.0

data_Sc2TaTl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   5.09
_cell_length_c   6.09
_cell_angle_alpha   114.74
_cell_angle_beta   105.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TaTl
_chemical_formula_sum   'Sc2 Ta1 Tl1'
_cell_volume   88.39
_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  0.43  0.43  1.0
  Sc  Sc1  1  0.0  0.8  0.15  1.0
  Ta  Ta2  1  0.0  0.34  0.34  1.0
  Tl  Tl3  1  0.45  1.0  1.0  1.0

Sc Sc Ta Tl