data_Na4CoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.82
_cell_length_c   8.1
_cell_angle_alpha   88.91
_cell_angle_beta   73.06
_cell_angle_gamma   70.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na4CoO4
_chemical_formula_sum   'Na8 Co2 O8'
_cell_volume   245.02
_cell_formula_units_Z   2
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  0.53  0.82  0.41  1.0
  Na  Na1  1  0.04  0.84  0.47  1.0
  Na  Na2  1  0.37  0.12  0.81  1.0
  Na  Na3  1  0.5  0.46  0.6  1.0
  Na  Na4  1  0.11  0.94  0.25  1.0
  Na  Na5  1  0.62  0.96  0.31  1.0
  Na  Na6  1  0.77  0.66  0.91  1.0
  Na  Na7  1  0.65  0.32  0.12  1.0
  Co  Co8  1  0.55  0.04  0.93  1.0
  Co  Co9  1  0.59  0.74  0.79  1.0
  O  O10  1  0.49  0.54  0.2  1.0
  O  O11  1  0.54  0.69  0.81  1.0
  O  O12  1  0.61  0.09  0.91  1.0
  O  O13  1  0.93  1.0  0.59  1.0
  O  O14  1  0.65  0.23  0.52  1.0
  O  O15  1  0.5  0.33  0.86  1.0
  O  O16  1  0.22  0.78  0.13  1.0
  O  O17  1  0.65  0.45  0.86  1.0

data_Na4CoO4
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.8
_cell_length_b   5.82
_cell_length_c   8.1
_cell_angle_alpha   88.91
_cell_angle_beta   73.06
_cell_angle_gamma   70.09
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Na4CoO4
_chemical_formula_sum   'Na8 Co2 O8'
_cell_volume   245.02
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.04  0.55  0.89  1.0
  Na  Na1  2  0.3  0.73  0.45  1.0
  Na  Na2  2  0.42  0.07  0.24  1.0
  Na  Na3  2  0.45  0.43  0.05  1.0
  Co  Co4  2  0.48  0.65  0.57  1.0
  O  O5  2  0.14  0.39  0.77  1.0
  O  O6  2  0.42  0.15  0.84  1.0
  O  O7  2  0.43  0.94  0.5  1.0
  O  O8  2  0.47  0.3  0.45  1.0

Na Na Na Na Na Na Na Na Co Co O O O O O O O O
Na Na Na Na Na Na Na Na Co Co O O O O O O O O 0 5 o o o 1 13 - o o 2 12 o o o 2 8 o o o 2 15 o o o 3 14 o o o 4 16 o o o 6 17 o o o 6 11 o o o 6 9 o o o 7 10 o o o 8 12 o o o 9 11 o o o 11 17 o o o 12 15 o o o 15 17 o o o 