data_AlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.93
_cell_length_b   7.93
_cell_length_c   7.93
_cell_angle_alpha   152.73
_cell_angle_beta   152.73
_cell_angle_gamma   38.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi
_chemical_formula_sum   'Al4 Ni4'
_cell_volume   104.63
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.0  0.87  0.61  1.0
  Al  Al2  1  0.0  0.0  0.22  1.0
  Al  Al3  1  0.0  0.0  0.48  1.0
  Ni  Ni4  1  0.0  0.87  0.87  1.0
  Ni  Ni5  1  0.87  0.0  0.61  1.0
  Ni  Ni6  1  0.0  0.0  0.74  1.0
  Ni  Ni7  1  0.87  0.0  0.87  1.0

data_AlNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   3.74
_cell_length_c   7.93
_cell_angle_alpha   103.63
_cell_angle_beta   103.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi
_chemical_formula_sum   'Al4 Ni4'
_cell_volume   104.63
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.22  0.22  0.22  1.0
  Al  Al2  1  0.48  0.48  0.48  1.0
  Al  Al3  1  0.74  0.61  0.74  1.0
  Ni  Ni4  1  -0.0  0.87  -0.0  1.0
  Ni  Ni5  1  0.61  0.74  0.74  1.0
  Ni  Ni6  1  0.74  0.74  0.74  1.0
  Ni  Ni7  1  0.87  -0.0  -0.0  1.0

Al Al Al Al Ni Ni Ni Ni