data_ScWCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.28
_cell_length_b   7.28
_cell_length_c   7.28
_cell_angle_alpha   153.95
_cell_angle_beta   144.69
_cell_angle_gamma   44.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScWCl2
_chemical_formula_sum   'Sc1 W1 Cl2'
_cell_volume   97.72
_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  Sc2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.74  1.0
  Cl  Cl0  1  0.64  0.0  0.85  1.0
  Cl  Cl1  1  0.0  0.21  0.89  1.0

data_ScWCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.42
_cell_length_c   7.28
_cell_angle_alpha   107.65
_cell_angle_beta   103.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScWCl2
_chemical_formula_sum   'Sc1 W1 Cl2'
_cell_volume   97.72
_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  0.0  1.0
  W  W1  1  0.0  0.74  0.74  1.0
  Cl  Cl2  1  0.0  0.85  0.21  1.0
  Cl  Cl3  1  0.79  0.68  0.68  1.0

Sc W Cl Cl