data_AgSb2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   128.8
_cell_angle_beta   125.15
_cell_angle_gamma   78.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgSb2Pd
_chemical_formula_sum   'Ag1 Sb2 Pd1'
_cell_volume   85.28
_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
  Ag  Ag0  1  0.0  0.0  0.01  1.0
  Sb  Sb2  1  0.0  0.38  0.07  1.0
  Sb  Sb3  1  0.23  0.0  0.94  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0

data_AgSb2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.47
_cell_length_b   4.76
_cell_length_c   5.17
_cell_angle_alpha   117.42
_cell_angle_beta   115.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgSb2Pd
_chemical_formula_sum   'Ag1 Sb2 Pd1'
_cell_volume   85.28
_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
  Ag  Ag0  1  0.99  0.99  0.99  1.0
  Sb  Sb1  1  0.3  0.06  0.3  1.0
  Sb  Sb2  1  0.93  0.31  0.31  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

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