data_SrScTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.07
_cell_length_b   7.07
_cell_length_c   7.07
_cell_angle_alpha   148.77
_cell_angle_beta   148.77
_cell_angle_gamma   44.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrScTl
_chemical_formula_sum   'Sr1 Sc1 Tl1'
_cell_volume   94.87
_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
  Sr  Sr1  1  0.0  0.0  0.87  1.0
  Sc  Sc0  1  0.0  0.0  0.61  1.0
  Tl  Tl2  1  0.0  0.0  0.68  1.0

data_SrScTl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   7.07
_cell_angle_alpha   90.0
_cell_angle_beta   112.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrScTl
_chemical_formula_sum   'Sr2 Sc2 Tl2'
_cell_volume   189.75
_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
  Sr  Sr0  2  0.37  0.5  0.87  1.0
  Sc  Sc1  2  0.11  0.5  0.61  1.0
  Tl  Tl2  2  0.18  0.5  0.68  1.0

Sr Sc Tl
Sr Sc Tl 0 2 o o o 1 2 o o o 