data_CrPPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   148.64
_cell_angle_beta   136.61
_cell_angle_gamma   54.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrPPd2
_chemical_formula_sum   'Cr1 P1 Pd2'
_cell_volume   56.31
_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
  Cr  Cr0  1  0.0  0.0  0.81  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.46  0.0  0.91  1.0
  Pd  Pd3  1  0.0  0.0  0.9  1.0

data_CrPPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.0
_cell_length_c   5.41
_cell_angle_alpha   111.7
_cell_angle_beta   105.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrPPd2
_chemical_formula_sum   'Cr1 P1 Pd2'
_cell_volume   56.31
_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
  Cr  Cr0  1  0.19  0.19  0.19  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.1  0.1  0.1  1.0
  Pd  Pd3  1  0.55  0.09  0.55  1.0

Cr P Pd Pd