data_Y2BPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   4.54
_cell_angle_alpha   109.03
_cell_angle_beta   109.03
_cell_angle_gamma   33.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2BPd
_chemical_formula_sum   'Y2 B1 Pd1'
_cell_volume   80.23
_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  0.14  0.0  0.02  1.0
  Y  Y3  1  0.2  0.0  0.32  1.0
  B  B0  1  0.48  0.0  0.03  1.0
  Pd  Pd1  1  0.94  0.0  0.04  1.0

data_Y2BPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   4.54
_cell_length_c   5.86
_cell_angle_alpha   109.03
_cell_angle_beta   106.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2BPd
_chemical_formula_sum   'Y2 B1 Pd1'
_cell_volume   80.23
_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  0.02  0.14  1.0
  Y  Y1  1  0.0  0.32  0.2  1.0
  B  B2  1  0.0  0.03  0.48  1.0
  Pd  Pd3  1  0.0  0.04  0.94  1.0

Y Y B Pd
Y Y B Pd 0 3 - o o 0 1 o o o 0 2 o o o 