data_YAlP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.64
_cell_length_b   3.87
_cell_length_c   9.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAlP
_chemical_formula_sum   'Y4 Al4 P4'
_cell_volume   233.05
_cell_formula_units_Z   4
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
  Y  Y8  1  0.58  0.97  0.59  1.0
  Y  Y9  1  0.38  0.91  0.06  1.0
  Y  Y10  1  0.06  0.91  0.46  1.0
  Y  Y11  1  0.26  0.97  0.99  1.0
  Al  Al0  1  0.21  0.97  0.96  1.0
  Al  Al1  1  0.76  0.91  0.49  1.0
  Al  Al2  1  0.44  0.91  0.09  1.0
  Al  Al3  1  0.89  0.97  0.56  1.0
  P  P4  1  0.12  0.97  0.37  1.0
  P  P5  1  0.84  0.91  0.89  1.0
  P  P6  1  0.52  0.91  0.69  1.0
  P  P7  1  0.8  0.97  0.16  1.0

data_YAlP
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.87
_cell_length_b   6.64
_cell_length_c   9.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   YAlP
_chemical_formula_sum   'Y4 Al4 P4'
_cell_volume   233.05
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Y  Y0  2  0.03  0.76  0.06  1.0
  Y  Y1  2  0.03  0.44  0.46  1.0
  Al  Al2  2  0.03  0.39  0.44  1.0
  Al  Al3  2  0.03  0.06  0.04  1.0
  P  P4  2  0.03  0.3  0.84  1.0
  P  P5  2  0.03  0.98  0.63  1.0

Y Y Y Y Al Al Al Al P P P P
Y Y Y Y Al Al Al Al P P P P 0 10 o o o 1 6 o o o 1 11 o o o 2 8 o o o 3 4 o o o 3 9 - o o 4 9 - o o 5 7 o o o 5 11 o o o 6 11 o o o 7 9 o o o 8 11 - o o 9 10 o o o 9 11 o o + 