data_SrAgPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   3.85
_cell_angle_alpha   91.49
_cell_angle_beta   91.49
_cell_angle_gamma   91.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAgPd2
_chemical_formula_sum   'Sr1 Ag1 Pd2'
_cell_volume   79.5
_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
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.17  0.0  0.0  1.0
  Pd  Pd1  1  0.51  0.37  0.93  1.0
  Pd  Pd2  1  0.51  0.63  0.93  1.0

data_SrAgPd2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.85
_cell_length_b   4.55
_cell_length_c   4.55
_cell_angle_alpha   90.0
_cell_angle_beta   91.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   SrAgPd2
_chemical_formula_sum   'Sr1 Ag1 Pd2'
_cell_volume   79.56
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  -0.0  0.0  0.17  1.0
  Pd  Pd2  2  0.93  0.37  0.51  1.0

Sr Ag Pd Pd
Sr Ag Pd Pd 0 1 o o o 2 3 o o o 