data_ZnP2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.71
_cell_length_b   3.71
_cell_length_c   6.06
_cell_angle_alpha   106.19
_cell_angle_beta   106.19
_cell_angle_gamma   55.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnP2Pd
_chemical_formula_sum   'Zn1 P2 Pd1'
_cell_volume   64.91
_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
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  P  P0  1  0.24  0.0  0.18  1.0
  P  P1  1  0.42  0.0  0.57  1.0
  Pd  Pd2  1  0.33  0.0  0.88  1.0

data_ZnP2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   3.71
_cell_length_c   6.06
_cell_angle_alpha   106.19
_cell_angle_beta   90.0
_cell_angle_gamma   117.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnP2Pd
_chemical_formula_sum   'Zn1 P2 Pd1'
_cell_volume   64.91
_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
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  P  P1  1  0.0  0.58  0.43  1.0
  P  P2  1  0.0  0.76  0.82  1.0
  Pd  Pd3  1  0.0  0.67  0.12  1.0

Zn P P Pd