data_Y2BW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   134.6
_cell_angle_beta   134.6
_cell_angle_gamma   66.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2BW
_chemical_formula_sum   'Y2 B1 W1'
_cell_volume   77.25
_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
  Y  Y2  1  0.0  0.0  0.5  1.0
  Y  Y3  1  0.0  0.07  0.25  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.07  0.0  0.25  1.0

data_Y2BW
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.14
_cell_length_b   4.14
_cell_length_c   5.37
_cell_angle_alpha   112.7
_cell_angle_beta   112.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2BW
_chemical_formula_sum   'Y2 B1 W1'
_cell_volume   77.25
_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
  Y  Y0  1  0.18  0.25  0.18  1.0
  Y  Y1  1  0.5  0.5  0.5  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.25  0.18  0.18  1.0

Y Y B W
Y Y B W 0 1 o o o 0 3 o o o 1 3 o o o 1 2 o o o 2 3 o o o 