data_BaW2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   3.02
_cell_length_c   10.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaW2Cl
_chemical_formula_sum   'Ba1 W2 Cl1'
_cell_volume   83.48
_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
  Ba  Ba0  1  0.0  0.0  0.29  1.0
  W  W2  1  0.51  0.0  0.2  1.0
  W  W3  1  0.51  0.0  0.38  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_BaW2Cl
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   3.02
_cell_length_b   5.23
_cell_length_c   10.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   BaW2Cl
_chemical_formula_sum   'Ba2 W4 Cl2'
_cell_volume   166.96
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  'x+1/2, -y+1/2, 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
  Ba  Ba0  2  0.0  0.0  0.71  1.0
  W  W1  2  0.0  0.5  0.62  1.0
  W  W2  2  0.0  0.5  0.8  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

Ba W W Cl
Ba W W Cl 0 1 - o o 0 1 o o o 0 2 - o o 0 2 o o o 0 3 o o o 1 2 o o o 1 3 + o o 1 3 + + o 1 3 o - o 1 3 o o o 3 3 + + o 3 3 o + o 3 3 + o o 