data_YBiW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79
_cell_length_b   5.79
_cell_length_c   5.79
_cell_angle_alpha   144.23
_cell_angle_beta   128.62
_cell_angle_gamma   64.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBiW2
_chemical_formula_sum   'Y1 Bi1 W2'
_cell_volume   87.77
_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  0.84  1.0
  Bi  Bi0  1  0.0  0.51  0.63  1.0
  W  W1  1  0.0  0.0  0.25  1.0
  W  W2  1  0.78  0.0  0.09  1.0

data_YBiW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   5.02
_cell_length_c   5.79
_cell_angle_alpha   115.69
_cell_angle_beta   107.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBiW2
_chemical_formula_sum   'Y1 Bi1 W2'
_cell_volume   87.77
_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  0.16  0.16  0.16  1.0
  Bi  Bi1  1  0.37  0.88  0.88  1.0
  W  W2  1  0.69  0.91  0.69  1.0
  W  W3  1  0.75  0.75  0.75  1.0

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