data_[Al1Co2Ni1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Co  1.8800  1.3500  0.7683
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.6309]
_cell_length_b [3.3663]
_cell_length_c [5.1676]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [AlCo2Ni]
_chemical_formula_sum '[Al1 Co2 Ni1]'
_cell_volume [45.7663]
_cell_formula_units_Z [1]
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  0.5000  0.5000  0.7461  1
  Co  Co1  1  0.0000  0.0000  0.0150  1
  Co  Co2  1  0.5000  0.5000  0.2392  1
  Ni  Ni3  1  0.0000  0.0000  0.4996  1
]