data_Y2BiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86
_cell_length_b   5.98
_cell_length_c   5.98
_cell_angle_alpha   42.38
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2BiB
_chemical_formula_sum   'Y2 Bi1 B1'
_cell_volume   92.91
_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  0.69  1.0
  Y  Y3  1  0.93  0.0  0.95  1.0
  Bi  Bi1  1  0.93  0.0  0.26  1.0
  B  B0  1  0.0  0.0  0.17  1.0

data_Y2BiB
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   4.32
_cell_length_c   5.98
_cell_angle_alpha   111.19
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2BiB
_chemical_formula_sum   'Y2 Bi1 B1'
_cell_volume   92.91
_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  0.69  0.69  1.0
  Y  Y1  1  0.07  0.95  0.95  1.0
  Bi  Bi2  1  0.07  0.26  0.26  1.0
  B  B3  1  0.0  0.17  0.17  1.0

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