data_YBi2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.98
_cell_length_b   4.45
_cell_length_c   6.29
_cell_angle_alpha   90.0
_cell_angle_beta   105.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBi2Pd
_chemical_formula_sum   'Y1 Bi2 Pd1'
_cell_volume   107.35
_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  0.0  1.0
  Bi  Bi0  1  0.13  0.22  0.58  1.0
  Bi  Bi1  1  0.2  0.22  0.48  1.0
  Pd  Pd2  1  0.17  0.0  0.03  1.0

data_YBi2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.98
_cell_length_b   4.45
_cell_length_c   6.29
_cell_angle_alpha   90.0
_cell_angle_beta   105.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBi2Pd
_chemical_formula_sum   'Y1 Bi2 Pd1'
_cell_volume   107.35
_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  0.0  0.0  1.0
  Bi  Bi1  1  0.13  0.22  0.58  1.0
  Bi  Bi2  1  0.2  0.22  0.48  1.0
  Pd  Pd3  1  0.17  0.0  0.03  1.0

Y Bi Bi Pd
Y Bi Bi Pd 0 3 o o o 1 2 o o o 