data_ZnP2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56
_cell_length_b   4.61
_cell_length_c   4.12
_cell_angle_alpha   90.0
_cell_angle_beta   109.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnP2Rh
_chemical_formula_sum   'Zn1 P2 Rh1'
_cell_volume   63.79
_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  0.45  0.0  0.23  1.0
  P  P0  1  0.02  0.31  0.59  1.0
  P  P1  1  0.73  0.0  0.82  1.0
  Rh  Rh2  1  0.21  0.31  0.06  1.0

data_ZnP2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   4.12
_cell_length_c   4.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnP2Rh
_chemical_formula_sum   'Zn1 P2 Rh1'
_cell_volume   63.79
_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  0.55  0.77  0.0  1.0
  P  P1  1  0.27  0.18  0.0  1.0
  P  P2  1  0.98  0.41  0.69  1.0
  Rh  Rh3  1  0.79  0.94  0.69  1.0

Zn P P Rh
Zn P P Rh 0 3 o o o 0 2 o o o 0 2 o o - 0 2 - o - 1 2 - o o 1 3 o o + 2 3 + o + 