data_NbCoPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   131.56
_cell_angle_beta   131.56
_cell_angle_gamma   70.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCoPd2
_chemical_formula_sum   'Nb1 Co1 Pd2'
_cell_volume   57.98
_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
  Nb  Nb1  1  0.94  0.0  0.93  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.0  0.0  0.85  1.0
  Pd  Pd3  1  0.0  0.94  0.93  1.0

data_NbCoPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   3.88
_cell_length_c   4.73
_cell_angle_alpha   114.22
_cell_angle_beta   114.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCoPd2
_chemical_formula_sum   'Nb1 Co1 Pd2'
_cell_volume   57.98
_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
  Nb  Nb0  1  0.93  0.99  0.99  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.85  0.85  0.85  1.0
  Pd  Pd3  1  0.99  0.93  0.99  1.0

Nb Co Pd Pd