data_ScTa2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   2.97
_cell_length_c   9.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTa2Sn
_chemical_formula_sum   'Sc1 Ta2 Sn1'
_cell_volume   81.87
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Ta  Ta2  1  0.49  0.49  0.94  1.0
  Ta  Ta3  1  0.49  0.49  0.33  1.0
  Sn  Sn1  1  0.0  0.0  0.63  1.0

data_ScTa2Sn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   9.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScTa2Sn
_chemical_formula_sum   'Sc2 Ta4 Sn2'
_cell_volume   163.73
_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
  Ta  Ta1  2  0.49  0.0  0.33  1.0
  Ta  Ta2  2  0.49  0.0  0.94  1.0
  Sn  Sn3  2  0.0  0.0  0.63  1.0

Sc Ta Ta Sn
Sc Ta Ta Sn 0 1 - - - 0 1 - o - 0 1 o - - 0 1 o o - 0 2 o o o 0 2 o - o 0 2 - o o 0 3 o o - 1 2 o o + 1 3 + + o 1 3 + o o 1 3 o + o 1 3 o o o 2 3 o o o 2 3 o + o 2 3 + o o 2 3 + + o 2 2 + o o 2 2 o + o 3 3 + o o 3 3 o + o 