data_CaZn2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   44.54
_cell_angle_beta   44.54
_cell_angle_gamma   44.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZn2Pd
_chemical_formula_sum   'Ca1 Zn2 Pd1'
_cell_volume   80.99
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.0  0.0  0.11  1.0
  Zn  Zn3  1  0.0  0.0  0.15  1.0
  Pd  Pd1  1  0.0  0.0  0.63  1.0

data_CaZn2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.43
_cell_length_b   4.29
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   115.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaZn2Pd
_chemical_formula_sum   'Ca2 Zn4 Pd2'
_cell_volume   161.98
_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
  Ca  Ca0  2  0.0  0.0  0.0  1.0
  Zn  Zn1  2  0.0  0.0  0.11  1.0
  Zn  Zn2  2  0.0  0.0  0.15  1.0
  Pd  Pd3  2  0.0  0.0  0.63  1.0

Ca Zn Zn Pd
Ca Zn Zn Pd 0 1 o o o 0 3 o o - 1 2 o o o 