data_Y3W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31
_cell_length_b   6.31
_cell_length_c   6.31
_cell_angle_alpha   149.8
_cell_angle_beta   66.26
_cell_angle_gamma   122.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3W
_chemical_formula_sum   'Y3 W1'
_cell_volume   105.31
_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  Y1  1  0.0  0.38  0.03  1.0
  Y  Y2  1  0.0  0.0  0.23  1.0
  Y  Y3  1  0.0  0.18  0.03  1.0
  W  W0  1  0.0  0.28  0.8  1.0

data_Y3W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   6.06
_cell_length_c   6.31
_cell_angle_alpha   118.72
_cell_angle_beta   105.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3W
_chemical_formula_sum   'Y3 W1'
_cell_volume   105.31
_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  0.77  0.77  1.0
  Y  Y1  1  0.18  0.16  0.16  1.0
  Y  Y2  1  0.38  0.36  0.36  1.0
  W  W3  1  0.28  0.48  0.48  1.0

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