data_Sc2SnW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.75
_cell_length_b   9.75
_cell_length_c   9.75
_cell_angle_alpha   18.76
_cell_angle_beta   18.76
_cell_angle_gamma   18.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2SnW
_chemical_formula_sum   'Sc2 Sn1 W1'
_cell_volume   83.69
_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  0.71  1.0
  Sc  Sc1  1  0.0  0.0  0.02  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.36  1.0

data_Sc2SnW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.5
_cell_length_b   3.18
_cell_length_c   9.75
_cell_angle_alpha   90.0
_cell_angle_beta   100.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc2SnW
_chemical_formula_sum   'Sc4 Sn2 W2'
_cell_volume   167.39
_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  0.29  1.0
  Sc  Sc1  2  0.0  0.0  0.98  1.0
  Sn  Sn2  2  0.0  0.0  0.0  1.0
  W  W3  2  0.0  0.0  0.64  1.0

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