data_LaW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46
_cell_length_b   3.46
_cell_length_c   8.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaW
_chemical_formula_sum   'La2 W2'
_cell_volume   90.74
_cell_formula_units_Z   2
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  0.0  0.0  0.36  1.0
  La  La1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.73  0.0  0.55  1.0
  W  W3  1  0.0  0.0  0.18  1.0

data_LaW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.46
_cell_length_b   6.0
_cell_length_c   8.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaW
_chemical_formula_sum   'La4 W4'
_cell_volume   181.48
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  '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
  La  La0  2  0.0  0.0  0.0  1.0
  La  La1  2  0.0  0.0  0.36  1.0
  W  W2  2  0.23  0.5  0.55  1.0
  W  W3  2  0.5  0.5  0.18  1.0

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