data_Sc2SbW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.61
_cell_length_b   9.61
_cell_length_c   9.61
_cell_angle_alpha   19.64
_cell_angle_beta   19.64
_cell_angle_gamma   19.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2SbW
_chemical_formula_sum   'Sc2 Sb1 W1'
_cell_volume   87.69
_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  Sc1  1  0.0  0.0  0.13  1.0
  Sc  Sc2  1  0.0  0.0  0.81  1.0
  Sb  Sb0  1  0.0  0.0  0.43  1.0
  W  W3  1  0.0  0.0  0.02  1.0

data_Sc2SbW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.68
_cell_length_b   3.28
_cell_length_c   9.61
_cell_angle_alpha   90.0
_cell_angle_beta   101.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc2SbW
_chemical_formula_sum   'Sc4 Sb2 W2'
_cell_volume   175.39
_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  0.19  1.0
  Sc  Sc1  2  0.0  0.0  0.87  1.0
  Sb  Sb2  2  0.0  0.0  0.57  1.0
  W  W3  2  0.0  0.0  0.98  1.0

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