data_HoPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   133.88
_cell_angle_beta   133.88
_cell_angle_gamma   67.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoPd2
_chemical_formula_sum   'Ho1 Pd2'
_cell_volume   65.61
_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
  Ho  Ho0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.98  0.1  1.0
  Pd  Pd2  1  0.98  0.0  0.1  1.0

data_HoPd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   123.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HoPd2
_chemical_formula_sum   'Ho2 Pd4'
_cell_volume   131.21
_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+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ho  Ho0  2  0.0  0.0  0.0  1.0
  Pd  Pd1  4  0.01  0.01  0.12  1.0

Ho Pd Pd
Ho Pd Pd 0 2 - o o 0 1 o - o 1 2 - + o 