data_YSc2Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43
_cell_length_b   4.96
_cell_length_c   6.4
_cell_angle_alpha   90.0
_cell_angle_beta   104.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSc2Tl
_chemical_formula_sum   'Y1 Sc2 Tl1'
_cell_volume   105.61
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Sc  Sc0  1  0.65  0.48  0.63  1.0
  Sc  Sc1  1  0.18  0.48  0.57  1.0
  Tl  Tl2  1  0.2  0.0  0.1  1.0

data_YSc2Tl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   4.96
_cell_length_c   6.4
_cell_angle_alpha   90.0
_cell_angle_beta   104.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSc2Tl
_chemical_formula_sum   'Y1 Sc2 Tl1'
_cell_volume   105.61
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Sc  Sc1  1  0.18  0.48  0.57  1.0
  Sc  Sc2  1  0.65  0.48  0.63  1.0
  Tl  Tl3  1  0.2  0.0  0.1  1.0

Y Sc Sc Tl
Y Sc Sc Tl 0 3 o o o 1 2 o o o 