data_CrWCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   4.49
_cell_angle_alpha   142.72
_cell_angle_beta   126.02
_cell_angle_gamma   67.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrWCl
_chemical_formula_sum   'Cr1 W1 Cl1'
_cell_volume   43.68
_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
  Cr  Cr1  1  0.0  0.0  0.02  1.0
  W  W2  1  0.0  0.0  0.47  1.0
  Cl  Cl0  1  0.0  0.0  0.45  1.0

data_CrWCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.08
_cell_length_c   4.49
_cell_angle_alpha   116.99
_cell_angle_beta   108.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrWCl
_chemical_formula_sum   'Cr1 W1 Cl1'
_cell_volume   43.68
_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
  Cr  Cr0  1  0.98  0.98  0.98  1.0
  W  W1  1  0.53  0.53  0.53  1.0
  Cl  Cl2  1  0.55  0.55  0.55  1.0

Cr W Cl