data_NaFeCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   4.58
_cell_angle_alpha   131.08
_cell_angle_beta   131.08
_cell_angle_gamma   71.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaFeCo2
_chemical_formula_sum   'Na1 Fe1 Co2'
_cell_volume   53.52
_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
  Fe  Fe2  1  0.0  0.0  0.72  1.0
  Co  Co0  1  0.9  0.0  0.86  1.0
  Co  Co1  1  0.0  0.9  0.86  1.0

data_NaFeCo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   4.58
_cell_angle_alpha   90.0
_cell_angle_beta   125.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaFeCo2
_chemical_formula_sum   'Na2 Fe2 Co4'
_cell_volume   107.05
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Fe  Fe1  2  0.28  0.0  0.28  1.0
  Co  Co2  4  0.09  0.05  0.04  1.0

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