data_Zr2WCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   141.42
_cell_angle_beta   117.44
_cell_angle_gamma   75.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2WCl
_chemical_formula_sum   'Zr2 W1 Cl1'
_cell_volume   79.71
_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  Zr2  1  0.75  0.0  0.95  1.0
  Zr  Zr3  1  0.0  0.74  0.21  1.0
  W  W1  1  0.0  0.0  0.16  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Zr2WCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   62.56
_cell_angle_beta   70.71
_cell_angle_gamma   70.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2WCl
_chemical_formula_sum   'Zr2 W1 Cl1'
_cell_volume   79.71
_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  0.2  0.75  0.05  1.0
  Zr  Zr1  1  0.21  -0.0  0.53  1.0
  W  W2  1  0.16  -0.0  0.84  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Zr Zr W Cl