data_Al2NiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   136.83
_cell_angle_beta   136.83
_cell_angle_gamma   62.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2NiP
_chemical_formula_sum   'Al2 Ni1 P1'
_cell_volume   55.5
_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  0.81  0.11  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.81  0.0  0.11  1.0
  P  P3  1  0.0  0.0  0.21  1.0

data_Al2NiP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   3.63
_cell_length_c   4.93
_cell_angle_alpha   111.59
_cell_angle_beta   111.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2NiP
_chemical_formula_sum   'Al2 Ni1 P1'
_cell_volume   55.5
_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  0.71  0.81  0.71  1.0
  Ni  Ni2  1  0.89  0.0  0.71  1.0
  P  P3  1  0.79  0.0  0.79  1.0

Al Al Ni P
Al Al Ni P 0 3 o + o 1 3 o o o 2 3 + o o 