data_ScTlHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   5.59
_cell_angle_alpha   144.47
_cell_angle_beta   133.54
_cell_angle_gamma   59.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTlHg
_chemical_formula_sum   'Sc1 Tl1 Hg1'
_cell_volume   73.06
_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  0.0  0.0  0.25  1.0
  Tl  Tl2  1  0.0  0.0  0.5  1.0
  Hg  Hg0  1  0.0  0.0  0.65  1.0

data_ScTlHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.41
_cell_length_c   5.59
_cell_angle_alpha   113.23
_cell_angle_beta   107.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTlHg
_chemical_formula_sum   'Sc1 Tl1 Hg1'
_cell_volume   73.06
_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  0.25  0.25  1.0
  Tl  Tl1  1  0.0  0.5  0.5  1.0
  Hg  Hg2  1  0.0  0.65  0.65  1.0

Sc Tl Hg