data_Al5Ni2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.3
_cell_length_b   6.3
_cell_length_c   6.3
_cell_angle_alpha   150.02
_cell_angle_beta   103.31
_cell_angle_gamma   84.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al5Ni2P
_chemical_formula_sum   'Al5 Ni2 P1'
_cell_volume   118.63
_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
  Al  Al1  1  0.63  0.64  0.67  1.0
  Al  Al2  1  0.0  0.26  1.0  1.0
  Al  Al3  1  0.0  0.26  0.33  1.0
  Al  Al4  1  0.63  0.64  0.33  1.0
  Ni  Ni5  1  0.0  0.0  0.87  1.0
  Ni  Ni6  1  0.0  0.0  0.46  1.0
  P  P7  1  0.0  0.91  0.0  1.0

data_Al5Ni2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   6.3
_cell_length_c   6.3
_cell_angle_alpha   76.69
_cell_angle_beta   75.01
_cell_angle_gamma   75.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al5Ni2P
_chemical_formula_sum   'Al5 Ni2 P1'
_cell_volume   118.63
_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
  Al  Al1  1  0.04  0.63  0.98  1.0
  Al  Al2  1  0.33  0.0  0.93  1.0
  Al  Al3  1  0.71  0.63  0.31  1.0
  Al  Al4  1  1.0  0.0  0.27  1.0
  Ni  Ni5  1  0.46  0.0  0.54  1.0
  Ni  Ni6  1  0.87  0.0  0.13  1.0
  P  P7  1  0.0  0.0  0.91  1.0

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