data_SbMo2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   4.35
_cell_length_c   5.58
_cell_angle_alpha   90.0
_cell_angle_beta   101.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbMo2Pd
_chemical_formula_sum   'Sb1 Mo2 Pd1'
_cell_volume   69.39
_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
  Sb  Sb3  1  0.23  0.18  0.1  1.0
  Mo  Mo0  1  0.87  0.0  0.06  1.0
  Mo  Mo1  1  0.97  0.18  0.35  1.0
  Pd  Pd2  1  0.54  0.0  0.69  1.0

data_SbMo2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.35
_cell_length_c   5.58
_cell_angle_alpha   90.0
_cell_angle_beta   101.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbMo2Pd
_chemical_formula_sum   'Sb1 Mo2 Pd1'
_cell_volume   69.39
_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
  Sb  Sb0  1  0.23  0.18  0.1  1.0
  Mo  Mo1  1  0.87  0.0  0.06  1.0
  Mo  Mo2  1  0.97  0.18  0.35  1.0
  Pd  Pd3  1  0.54  0.0  0.69  1.0

Sb Mo Mo Pd
Sb Mo Mo Pd 0 1 - o o 0 2 - o o 1 2 o o o 1 3 o o - 2 3 + o o 2 3 o o o 