data_YRePd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   4.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YRePd2
_chemical_formula_sum   'Y1 Re1 Pd2'
_cell_volume   70.47
_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
  Re  Re2  1  0.1  0.1  0.0  1.0
  Pd  Pd0  1  0.0  0.1  1.0  1.0
  Pd  Pd1  1  0.1  0.0  1.0  1.0

data_YRePd2
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   4.0
_cell_length_b   5.94
_cell_length_c   5.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   YRePd2
_chemical_formula_sum   'Y2 Re2 Pd4'
_cell_volume   140.94
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
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  2  0.0  0.0  0.0  1.0
  Re  Re1  2  0.0  0.0  0.1  1.0
  Pd  Pd2  4  0.0  0.05  0.05  1.0

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