data_ScWCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39
_cell_length_b   6.39
_cell_length_c   4.88
_cell_angle_alpha   93.47
_cell_angle_beta   93.47
_cell_angle_gamma   27.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScWCl2
_chemical_formula_sum   'Sc1 W1 Cl2'
_cell_volume   92.39
_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  0.05  0.0  0.43  1.0
  Cl  Cl0  1  0.06  0.0  0.75  1.0
  Cl  Cl1  1  0.04  0.0  0.12  1.0

data_ScWCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.88
_cell_length_c   6.39
_cell_angle_alpha   93.47
_cell_angle_beta   103.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScWCl2
_chemical_formula_sum   'Sc1 W1 Cl2'
_cell_volume   92.39
_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  0.43  0.05  1.0
  Cl  Cl2  1  0.0  0.12  0.04  1.0
  Cl  Cl3  1  0.0  0.75  0.06  1.0

Sc W Cl Cl
Sc W Cl Cl 0 3 o o o 0 2 o o - 1 3 o o o 1 2 o o o 