data_AlNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.54
_cell_length_b   10.54
_cell_length_c   10.54
_cell_angle_alpha   165.49
_cell_angle_beta   165.49
_cell_angle_gamma   20.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi2
_chemical_formula_sum   'Al2 Ni4'
_cell_volume   73.54
_cell_formula_units_Z   2
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  0.33  0.19  1.0
  Ni  Ni2  1  0.0  0.0  0.94  1.0
  Ni  Ni3  1  0.33  0.0  0.62  1.0
  Ni  Ni4  1  0.0  0.0  0.81  1.0
  Ni  Ni5  1  0.33  0.0  0.75  1.0

data_AlNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   2.66
_cell_length_c   10.54
_cell_angle_alpha   97.25
_cell_angle_beta   97.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi2
_chemical_formula_sum   'Al2 Ni4'
_cell_volume   73.54
_cell_formula_units_Z   2
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  0.86  0.19  0.86  1.0
  Ni  Ni2  1  0.62  0.29  0.29  1.0
  Ni  Ni3  1  0.75  0.42  0.42  1.0
  Ni  Ni4  1  0.81  0.81  0.81  1.0
  Ni  Ni5  1  0.94  0.94  0.94  1.0

Al Al Ni Ni Ni Ni