data_ScTaSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13
_cell_length_b   5.01
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   104.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTaSn2
_chemical_formula_sum   'Sc1 Ta1 Sn2'
_cell_volume   86.25
_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  0.65  0.0  0.5  1.0
  Ta  Ta3  1  0.99  0.51  0.35  1.0
  Sn  Sn1  1  0.25  0.51  0.19  1.0
  Sn  Sn2  1  0.49  0.0  0.68  1.0

data_ScTaSn2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.13
_cell_length_b   5.01
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   104.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ScTaSn2
_chemical_formula_sum   'Sc1 Ta1 Sn2'
_cell_volume   86.25
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.65  0.0  0.5  1.0
  Ta  Ta1  1  0.99  0.5  0.35  1.0
  Sn  Sn2  1  0.25  0.5  0.19  1.0
  Sn  Sn3  1  0.49  0.0  0.68  1.0

Sc Ta Sn Sn