data_BaY2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   5.2
_cell_length_c   7.55
_cell_angle_alpha   90.0
_cell_angle_beta   98.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaY2W
_chemical_formula_sum   'Ba1 Y2 W1'
_cell_volume   130.97
_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
  Ba  Ba0  1  0.89  0.0  0.98  1.0
  Y  Y2  1  0.1  0.0  0.16  1.0
  Y  Y3  1  0.38  0.6  0.26  1.0
  W  W1  1  0.77  0.6  0.25  1.0

data_BaY2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   5.2
_cell_length_c   7.55
_cell_angle_alpha   90.0
_cell_angle_beta   98.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaY2W
_chemical_formula_sum   'Ba1 Y2 W1'
_cell_volume   130.97
_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
  Ba  Ba0  1  0.89  0.0  0.98  1.0
  Y  Y1  1  0.1  0.0  0.16  1.0
  Y  Y2  1  0.38  0.6  0.26  1.0
  W  W3  1  0.77  0.6  0.25  1.0

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