data_LaW2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   4.39
_cell_length_c   6.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaW2Cl
_chemical_formula_sum   'La1 W2 Cl1'
_cell_volume   87.25
_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
  La  La1  1  0.58  0.19  0.2  1.0
  W  W2  1  0.0  0.0  0.97  1.0
  W  W3  1  0.58  0.19  0.85  1.0
  Cl  Cl0  1  0.0  0.0  0.4  1.0

data_LaW2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   4.39
_cell_length_c   6.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaW2Cl
_chemical_formula_sum   'La1 W2 Cl1'
_cell_volume   87.25
_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
  La  La0  1  0.58  0.19  0.2  1.0
  W  W1  1  0.0  0.0  0.97  1.0
  W  W2  1  0.58  0.19  0.85  1.0
  Cl  Cl3  1  0.0  0.0  0.4  1.0

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