data_ScW2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46
_cell_length_b   6.46
_cell_length_c   6.46
_cell_angle_alpha   149.36
_cell_angle_beta   149.36
_cell_angle_gamma   43.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScW2Cl
_chemical_formula_sum   'Sc1 W2 Cl1'
_cell_volume   69.82
_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  0.99  1.0
  W  W2  1  0.0  0.0  0.56  1.0
  W  W3  1  0.0  0.0  0.42  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_ScW2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   6.46
_cell_angle_alpha   90.0
_cell_angle_beta   111.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScW2Cl
_chemical_formula_sum   'Sc2 W4 Cl2'
_cell_volume   139.64
_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  0.49  0.5  0.99  1.0
  W  W1  2  0.06  0.5  0.56  1.0
  W  W2  2  0.42  0.0  0.42  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

Sc W W Cl