data_ZrWCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   5.67
_cell_angle_alpha   141.39
_cell_angle_beta   141.39
_cell_angle_gamma   55.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrWCl2
_chemical_formula_sum   'Zr1 W1 Cl2'
_cell_volume   70.57
_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
  Zr  Zr3  1  0.0  0.0  0.02  1.0
  W  W2  1  0.88  0.0  0.51  1.0
  Cl  Cl0  1  0.0  0.88  0.51  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_ZrWCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   3.75
_cell_length_c   5.67
_cell_angle_alpha   109.3
_cell_angle_beta   109.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrWCl2
_chemical_formula_sum   'Zr1 W1 Cl2'
_cell_volume   70.57
_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
  Zr  Zr0  1  0.02  0.02  0.02  1.0
  W  W1  1  0.51  0.63  0.63  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0
  Cl  Cl3  1  0.63  0.51  0.63  1.0

Zr W Cl Cl