data_[Al2Si2Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.6983]
_cell_length_b [3.8139]
_cell_length_c [4.9107]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8310]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [AlSiNi]
_chemical_formula_sum '[Al2 Si2 Ni2]'
_cell_volume [83.7664]
_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  2  0.1731  0.7500  0.4082  1.0
  Si  Si1  2  0.3893  0.2500  0.1316  1.0
  Ni  Ni2  2  0.1244  0.7500  0.8931  1.0
]