data_ScBeTl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41
_cell_length_b   4.33
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   96.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBeTl2
_chemical_formula_sum   'Sc1 Be1 Tl2'
_cell_volume   86.81
_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  0.35  0.0  0.94  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.96  0.16  0.51  1.0
  Tl  Tl3  1  0.74  0.16  0.38  1.0

data_ScBeTl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.33
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   96.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBeTl2
_chemical_formula_sum   'Sc1 Be1 Tl2'
_cell_volume   86.81
_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  0.35  0.0  0.94  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.74  0.16  0.38  1.0
  Tl  Tl3  1  0.96  0.16  0.51  1.0

Sc Be Tl Tl