data_ScTlZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.14
_cell_angle_alpha   101.98
_cell_angle_beta   101.98
_cell_angle_gamma   38.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTlZn2
_chemical_formula_sum   'Sc1 Tl1 Zn2'
_cell_volume   82.87
_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  0.32  0.0  0.51  1.0
  Zn  Zn2  1  0.62  0.0  0.9  1.0
  Zn  Zn3  1  0.03  0.0  0.11  1.0

data_ScTlZn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   5.14
_cell_length_c   5.17
_cell_angle_alpha   101.98
_cell_angle_beta   109.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTlZn2
_chemical_formula_sum   'Sc1 Tl1 Zn2'
_cell_volume   82.87
_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  0.0  0.51  0.32  1.0
  Zn  Zn2  1  0.0  0.11  0.03  1.0
  Zn  Zn3  1  0.0  0.9  0.62  1.0

Sc Tl Zn Zn
Sc Tl Zn Zn 0 3 o o o 0 2 - o - 1 3 o o o 1 2 o o o 2 3 + o + 