data_ZrSbPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   129.87
_cell_angle_beta   129.87
_cell_angle_gamma   73.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSbPd2
_chemical_formula_sum   'Zr1 Sb1 Pd2'
_cell_volume   74.47
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.0  0.0  0.05  1.0
  Pd  Pd0  1  0.14  0.0  0.03  1.0
  Pd  Pd1  1  0.0  0.14  0.03  1.0

data_ZrSbPd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.06
_cell_length_b   6.06
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   126.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrSbPd2
_chemical_formula_sum   'Zr2 Sb2 Pd4'
_cell_volume   148.95
_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
  Zr  Zr0  2  0.0  0.0  0.0  1.0
  Sb  Sb1  2  0.0  0.0  0.05  1.0
  Pd  Pd2  4  0.43  0.43  0.88  1.0

Zr Sb Pd Pd