data_YW3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   5.56
_cell_angle_alpha   146.46
_cell_angle_beta   128.42
_cell_angle_gamma   62.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YW3
_chemical_formula_sum   'Y1 W3'
_cell_volume   73.64
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  W  W0  1  0.6  0.0  0.54  1.0
  W  W1  1  0.0  0.42  0.2  1.0
  W  W2  1  0.0  0.0  0.74  1.0

data_YW3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.84
_cell_length_c   5.56
_cell_angle_alpha   115.79
_cell_angle_beta   106.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YW3
_chemical_formula_sum   'Y1 W3'
_cell_volume   73.64
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.0  0.54  0.94  1.0
  W  W2  1  0.0  0.74  0.74  1.0
  W  W3  1  0.58  0.78  0.78  1.0

Y W W W
Y W W W 0 2 o o o 0 3 o o - 0 1 - o - 1 3 + o o 1 2 + o + 2 3 o o - 