data_YAlP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.23
_cell_length_b   7.23
_cell_length_c   3.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAlP
_chemical_formula_sum   'Y3 Al3 P3'
_cell_volume   174.73
_cell_formula_units_Z   3
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  Y6  1  0.59  0.44  0.0  1.0
  Y  Y7  1  0.2  0.82  0.0  1.0
  Y  Y8  1  0.82  0.0  0.0  1.0
  Al  Al0  1  0.29  0.69  0.93  1.0
  Al  Al1  1  0.91  0.57  0.93  1.0
  Al  Al2  1  0.42  0.0  0.93  1.0
  P  P3  1  0.61  0.09  0.93  1.0
  P  P4  1  0.0  0.17  0.93  1.0
  P  P5  1  0.0  0.0  0.0  1.0

data_YAlP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   7.23
_cell_length_c   7.23
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAlP
_chemical_formula_sum   'Y3 Al3 P3'
_cell_volume   174.73
_cell_formula_units_Z   3
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  Y0  1  -0.0  0.59  0.44  1.0
  Y  Y1  1  -0.0  0.2  0.82  1.0
  Y  Y2  1  0.0  0.82  0.0  1.0
  Al  Al3  1  0.93  0.29  0.69  1.0
  Al  Al4  1  0.93  0.42  0.0  1.0
  Al  Al5  1  0.93  0.91  0.57  1.0
  P  P6  1  0.0  0.0  0.0  1.0
  P  P7  1  0.93  0.0  0.17  1.0
  P  P8  1  0.93  0.61  0.09  1.0

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