data_NaZn2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.7
_cell_length_b   3.58
_cell_length_c   6.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZn2Co
_chemical_formula_sum   'Na1 Zn2 Co1'
_cell_volume   64.77
_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  Na1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.45  0.79  0.05  1.0
  Zn  Zn3  1  0.25  0.79  0.64  1.0
  Co  Co0  1  1.0  0.0  0.35  1.0

data_NaZn2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   3.58
_cell_length_c   6.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZn2Co
_chemical_formula_sum   'Na1 Zn2 Co1'
_cell_volume   64.77
_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
  Zn  Zn1  1  0.25  0.79  0.64  1.0
  Zn  Zn2  1  0.45  0.79  0.05  1.0
  Co  Co3  1  1.0  0.0  0.35  1.0

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