data_SrW2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.47
_cell_length_b   3.47
_cell_length_c   9.53
_cell_angle_alpha   105.6
_cell_angle_beta   105.6
_cell_angle_gamma   58.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrW2Cl
_chemical_formula_sum   'Sr1 W2 Cl1'
_cell_volume   93.36
_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
  Sr  Sr1  1  0.9  0.0  0.42  1.0
  W  W2  1  0.98  0.0  0.61  1.0
  W  W3  1  0.94  0.0  0.07  1.0
  Cl  Cl0  1  0.91  0.0  0.56  1.0

data_SrW2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   3.47
_cell_length_c   9.22
_cell_angle_alpha   84.38
_cell_angle_beta   79.34
_cell_angle_gamma   60.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrW2Cl
_chemical_formula_sum   'Sr1 W2 Cl1'
_cell_volume   93.36
_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
  Sr  Sr0  1  0.0  0.49  0.42  1.0
  W  W1  1  0.0  0.37  0.61  1.0
  W  W2  1  0.0  0.86  0.07  1.0
  Cl  Cl3  1  0.0  0.35  0.56  1.0

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