data_YBiPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   131.97
_cell_angle_beta   131.97
_cell_angle_gamma   70.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBiPd2
_chemical_formula_sum   'Y1 Bi1 Pd2'
_cell_volume   84.75
_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  0.19  0.0  0.2  1.0
  Pd  Pd1  1  0.0  0.0  0.41  1.0
  Pd  Pd2  1  0.0  0.19  0.2  1.0

data_YBiPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   5.39
_cell_angle_alpha   114.01
_cell_angle_beta   114.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBiPd2
_chemical_formula_sum   'Y1 Bi1 Pd2'
_cell_volume   84.75
_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  0.2  0.01  0.01  1.0
  Pd  Pd2  1  0.01  0.2  0.01  1.0
  Pd  Pd3  1  0.41  0.41  0.41  1.0

Y Bi Pd Pd