data_ScCuSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07
_cell_length_b   6.0
_cell_length_c   3.22
_cell_angle_alpha   75.58
_cell_angle_beta   73.45
_cell_angle_gamma   30.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCuSn
_chemical_formula_sum   'Sc1 Cu1 Sn1'
_cell_volume   57.93
_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  0.2  0.36  0.24  1.0
  Cu  Cu0  1  0.2  0.36  0.04  1.0
  Sn  Sn2  1  0.2  0.36  0.9  1.0

data_ScCuSn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.39
_cell_length_b   11.18
_cell_length_c   3.22
_cell_angle_alpha   90.0
_cell_angle_beta   132.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScCuSn
_chemical_formula_sum   'Sc2 Cu2 Sn2'
_cell_volume   115.85
_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  0.2  0.0  0.43  1.0
  Cu  Cu1  2  0.2  0.0  0.23  1.0
  Sn  Sn2  2  0.2  0.0  0.1  1.0

Sc Cu Sn