data_AlPRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   4.95
_cell_angle_alpha   101.25
_cell_angle_beta   101.25
_cell_angle_gamma   41.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlPRh2
_chemical_formula_sum   'Al1 P1 Rh2'
_cell_volume   55.56
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  P  P1  1  0.37  0.0  0.42  1.0
  Rh  Rh2  1  0.16  0.0  0.57  1.0
  Rh  Rh3  1  0.58  0.0  0.27  1.0

data_AlPRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.16
_cell_length_c   4.95
_cell_angle_alpha   101.25
_cell_angle_beta   90.0
_cell_angle_gamma   110.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlPRh2
_chemical_formula_sum   'Al1 P1 Rh2'
_cell_volume   55.56
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  P  P1  1  0.0  0.63  0.58  1.0
  Rh  Rh2  1  0.0  0.42  0.73  1.0
  Rh  Rh3  1  0.0  0.84  0.43  1.0

Al P Rh Rh
Al P Rh Rh 0 3 - o o 0 3 o o o 0 2 o o - 0 2 o o o 0 1 o o o 1 2 o o o 1 3 o o o 