data_ZrAlP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27
_cell_length_b   6.27
_cell_length_c   6.27
_cell_angle_alpha   147.88
_cell_angle_beta   147.43
_cell_angle_gamma   46.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAlP2
_chemical_formula_sum   'Zr1 Al1 P2'
_cell_volume   70.23
_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
  Zr  Zr3  1  0.73  0.0  0.25  1.0
  Al  Al0  1  0.0  0.0  0.29  1.0
  P  P1  1  0.73  0.0  0.48  1.0
  P  P2  1  0.0  0.0  0.25  1.0

data_ZrAlP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   3.52
_cell_length_c   6.27
_cell_angle_alpha   106.29
_cell_angle_beta   106.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAlP2
_chemical_formula_sum   'Zr1 Al1 P2'
_cell_volume   70.23
_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
  Zr  Zr0  1  0.48  0.75  0.48  1.0
  Al  Al1  1  0.71  0.71  0.71  1.0
  P  P2  1  0.25  0.52  0.25  1.0
  P  P3  1  0.75  0.75  0.75  1.0

Zr Al P P