data_Sc2TlSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39
_cell_length_b   4.27
_cell_length_c   6.73
_cell_angle_alpha   90.0
_cell_angle_beta   93.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TlSn
_chemical_formula_sum   'Sc2 Tl1 Sn1'
_cell_volume   97.31
_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  0.51  0.13  0.1  1.0
  Sc  Sc1  1  0.53  0.13  0.62  1.0
  Tl  Tl3  1  0.82  0.0  0.36  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0

data_Sc2TlSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   4.27
_cell_length_c   6.73
_cell_angle_alpha   90.0
_cell_angle_beta   93.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TlSn
_chemical_formula_sum   'Sc2 Tl1 Sn1'
_cell_volume   97.31
_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  0.51  0.13  0.1  1.0
  Sc  Sc1  1  0.53  0.13  0.62  1.0
  Tl  Tl2  1  0.82  0.0  0.36  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0

Sc Sc Tl Sn