data_NaZnCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   152.12
_cell_angle_beta   130.04
_cell_angle_gamma   58.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZnCo2
_chemical_formula_sum   'Na1 Zn1 Co2'
_cell_volume   56.96
_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  Na2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.0  0.75  1.0
  Co  Co0  1  0.31  0.0  0.6  1.0
  Co  Co1  1  0.0  0.29  0.15  1.0

data_NaZnCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.62
_cell_length_b   4.59
_cell_length_c   5.43
_cell_angle_alpha   114.98
_cell_angle_beta   103.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZnCo2
_chemical_formula_sum   'Na1 Zn1 Co2'
_cell_volume   56.96
_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  0.0  0.75  0.75  1.0
  Co  Co2  1  0.0  0.6  0.29  1.0
  Co  Co3  1  0.71  0.86  0.86  1.0

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