data_NaAl2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.94
_cell_angle_alpha   99.31
_cell_angle_beta   99.31
_cell_angle_gamma   33.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAl2Co
_chemical_formula_sum   'Na1 Al2 Co1'
_cell_volume   62.12
_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
  Na  Na3  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.67  0.0  0.64  1.0
  Al  Al1  1  0.68  0.0  0.24  1.0
  Co  Co2  1  0.18  0.0  0.44  1.0

data_NaAl2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.8
_cell_length_c   4.94
_cell_angle_alpha   99.31
_cell_angle_beta   90.0
_cell_angle_gamma   106.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAl2Co
_chemical_formula_sum   'Na1 Al2 Co1'
_cell_volume   62.12
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.0  0.32  0.76  1.0
  Al  Al2  1  0.0  0.33  0.36  1.0
  Co  Co3  1  0.0  0.82  0.56  1.0

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