data_YPdBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.68
_cell_length_b   3.68
_cell_length_c   7.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YPdBr2
_chemical_formula_sum   'Y1 Pd1 Br2'
_cell_volume   107.08
_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  0.39  1.0
  Pd  Pd2  1  0.49  0.0  0.78  1.0
  Br  Br0  1  0.49  0.0  0.57  1.0
  Br  Br1  1  0.0  0.0  0.18  1.0

data_YPdBr2
_symmetry_space_group_name_H-M   P2
_cell_length_a   3.68
_cell_length_b   7.94
_cell_length_c   3.68
_cell_angle_alpha   90.0
_cell_angle_beta   94.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   YPdBr2
_chemical_formula_sum   'Y1 Pd1 Br2'
_cell_volume   107.08
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.61  0.0  1.0
  Pd  Pd1  1  0.5  0.22  0.0  1.0
  Br  Br2  1  0.0  0.82  0.0  1.0
  Br  Br3  1  0.5  0.43  0.0  1.0

Y Pd Br Br
Y Pd Br Br 0 3 o o o 1 2 o o o 