data_Co2BPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   4.49
_cell_angle_alpha   120.34
_cell_angle_beta   120.34
_cell_angle_gamma   36.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2BPd
_chemical_formula_sum   'Co2 B1 Pd1'
_cell_volume   44.04
_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
  Co  Co1  1  0.24  0.0  0.46  1.0
  Co  Co2  1  0.26  0.0  0.03  1.0
  B  B0  1  0.91  0.0  0.32  1.0
  Pd  Pd3  1  0.52  0.0  0.88  1.0

data_Co2BPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.4
_cell_length_c   4.42
_cell_angle_alpha   61.17
_cell_angle_beta   71.66
_cell_angle_gamma   71.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2BPd
_chemical_formula_sum   'Co2 B1 Pd1'
_cell_volume   44.04
_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
  Co  Co0  1  0.0  0.23  0.03  1.0
  Co  Co1  1  0.0  0.77  0.46  1.0
  B  B2  1  0.0  0.59  0.32  1.0
  Pd  Pd3  1  0.0  0.64  0.88  1.0

Co Co B Pd
Co Co B Pd 0 2 - o o 0 3 o o o 1 3 o o - 2 3 o o - 