data_AlCoNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   144.62
_cell_angle_beta   129.77
_cell_angle_gamma   62.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCoNi2
_chemical_formula_sum   'Al1 Co1 Ni2'
_cell_volume   45.19
_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  0.0  0.0  0.0  1.0
  Co  Co1  1  0.0  0.0  0.99  1.0
  Ni  Ni2  1  0.42  0.0  0.99  1.0
  Ni  Ni3  1  0.0  0.99  0.0  1.0

data_AlCoNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   3.98
_cell_length_c   4.68
_cell_angle_alpha   115.11
_cell_angle_beta   107.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCoNi2
_chemical_formula_sum   'Al1 Co1 Ni2'
_cell_volume   45.19
_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  0.0  0.0  0.0  1.0
  Co  Co1  1  0.0  0.99  0.99  1.0
  Ni  Ni2  1  0.0  0.99  0.57  1.0
  Ni  Ni3  1  0.01  0.02  0.02  1.0

Al Co Ni Ni
Al Co Ni Ni 0 1 o o - 0 2 o o - 0 3 o - o 1 2 o o o 2 3 o - + 