data_ScTl2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93
_cell_length_b   5.93
_cell_length_c   3.33
_cell_angle_alpha   100.94
_cell_angle_beta   100.94
_cell_angle_gamma   116.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTl2Ga
_chemical_formula_sum   'Sc1 Tl2 Ga1'
_cell_volume   97.96
_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  0.0  1.0
  Tl  Tl2  1  0.97  0.52  0.55  1.0
  Tl  Tl3  1  0.97  0.48  0.55  1.0
  Ga  Ga0  1  0.13  0.0  0.0  1.0

data_ScTl2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   5.93
_cell_length_c   5.93
_cell_angle_alpha   116.29
_cell_angle_beta   100.94
_cell_angle_gamma   100.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTl2Ga
_chemical_formula_sum   'Sc1 Tl2 Ga1'
_cell_volume   97.96
_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  0.55  0.97  0.52  1.0
  Tl  Tl2  1  0.55  0.97  0.48  1.0
  Ga  Ga3  1  -0.0  0.13  0.0  1.0

Sc Tl Tl Ga