data_CeAl2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   6.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   135.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeAl2Ni
_chemical_formula_sum   'Ce2 Al4 Ni2'
_cell_volume   145.67
_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
  Ce  Ce0  1  0.07  0.37  0.15  1.0
  Ce  Ce1  1  0.07  0.63  0.72  1.0
  Al  Al2  1  0.07  0.48  0.81  1.0
  Al  Al3  1  0.07  0.52  0.06  1.0
  Al  Al4  1  0.07  0.52  0.37  1.0
  Al  Al5  1  0.07  0.48  0.5  1.0
  Ni  Ni6  1  0.07  0.19  0.15  1.0
  Ni  Ni7  1  0.07  0.81  0.72  1.0

data_CeAl2Ni
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.15
_cell_length_b   5.52
_cell_length_c   6.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.09
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CeAl2Ni
_chemical_formula_sum   'Ce2 Al4 Ni2'
_cell_volume   145.67
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Ce  Ce0  2  0.37  0.37  0.28  1.0
  Al  Al1  2  0.48  0.48  0.63  1.0
  Al  Al2  2  0.48  0.48  0.94  1.0
  Ni  Ni3  2  0.19  0.19  0.28  1.0

Ce Ce Al Al Al Al Ni Ni