data_ScTlZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.46
_cell_length_b   9.46
_cell_length_c   9.46
_cell_angle_alpha   20.23
_cell_angle_beta   20.23
_cell_angle_gamma   20.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTlZn2
_chemical_formula_sum   'Sc1 Tl1 Zn2'
_cell_volume   88.57
_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  0.0  0.89  1.0
  Zn  Zn2  1  0.0  0.0  0.68  1.0
  Zn  Zn3  1  0.0  0.0  0.11  1.0

data_ScTlZn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.76
_cell_length_b   3.32
_cell_length_c   9.46
_cell_angle_alpha   90.0
_cell_angle_beta   101.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScTlZn2
_chemical_formula_sum   'Sc2 Tl2 Zn4'
_cell_volume   177.14
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Tl  Tl1  2  0.0  0.0  0.11  1.0
  Zn  Zn2  2  0.0  0.0  0.32  1.0
  Zn  Zn3  2  0.0  0.0  0.89  1.0

Sc Tl Zn Zn