data_CaNiPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   4.77
_cell_angle_alpha   103.74
_cell_angle_beta   103.74
_cell_angle_gamma   35.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNiPd2
_chemical_formula_sum   'Ca1 Ni1 Pd2'
_cell_volume   67.57
_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  0.18  0.0  0.32  1.0
  Ni  Ni1  1  0.84  0.0  0.98  1.0
  Pd  Pd2  1  0.05  0.0  0.09  1.0
  Pd  Pd3  1  0.57  0.0  0.54  1.0

data_CaNiPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   4.77
_cell_length_c   5.04
_cell_angle_alpha   103.74
_cell_angle_beta   107.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNiPd2
_chemical_formula_sum   'Ca1 Ni1 Pd2'
_cell_volume   67.57
_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  0.32  0.18  1.0
  Ni  Ni1  1  0.0  0.98  0.84  1.0
  Pd  Pd2  1  0.0  0.09  0.05  1.0
  Pd  Pd3  1  0.0  0.54  0.57  1.0

Ca Ni Pd Pd
Ca Ni Pd Pd 0 2 o o o 0 3 o o o 1 2 + o + 1 3 o o o 