data_AlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.2
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   100.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi
_chemical_formula_sum   'Al4 Ni4'
_cell_volume   104.79
_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  0.45  0.1  0.43  1.0
  Al  Al2  1  0.79  0.0  0.8  1.0
  Al  Al3  1  0.55  0.0  0.53  1.0
  Ni  Ni4  1  0.13  0.1  0.17  1.0
  Ni  Ni5  1  0.9  0.1  0.9  1.0
  Ni  Ni6  1  0.24  0.0  0.27  1.0
  Ni  Ni7  1  0.58  0.1  0.63  1.0

data_AlNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.2
_cell_length_b   4.93
_cell_length_c   5.14
_cell_angle_alpha   100.02
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi
_chemical_formula_sum   'Al4 Ni4'
_cell_volume   104.79
_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  0.21  0.2  1.0
  Al  Al2  1  0.0  0.45  0.47  1.0
  Al  Al3  1  0.9  0.55  0.57  1.0
  Ni  Ni4  1  0.0  0.76  0.73  1.0
  Ni  Ni5  1  0.9  0.1  0.1  1.0
  Ni  Ni6  1  0.9  0.42  0.37  1.0
  Ni  Ni7  1  0.9  0.87  0.83  1.0

Al Al Al Al Ni Ni Ni Ni