data_ZrAgPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   139.41
_cell_angle_beta   139.41
_cell_angle_gamma   58.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAgPd
_chemical_formula_sum   'Zr1 Ag1 Pd1'
_cell_volume   55.36
_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  Zr2  1  0.0  0.0  0.98  1.0
  Ag  Ag0  1  0.0  0.0  0.86  1.0
  Pd  Pd1  1  0.0  0.0  0.91  1.0

data_ZrAgPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.09
_cell_angle_alpha   90.0
_cell_angle_beta   119.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrAgPd
_chemical_formula_sum   'Zr2 Ag2 Pd2'
_cell_volume   110.72
_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  0.02  1.0
  Ag  Ag1  2  0.0  0.0  0.14  1.0
  Pd  Pd2  2  0.0  0.0  0.09  1.0

Zr Ag Pd