data_NaVCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.57
_cell_length_b   2.57
_cell_length_c   8.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaVCo2
_chemical_formula_sum   'Na1 V1 Co2'
_cell_volume   57.75
_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  0.19  1.0
  V  V3  1  0.29  0.29  0.07  1.0
  Co  Co0  1  0.0  0.0  0.13  1.0
  Co  Co1  1  0.29  0.29  0.72  1.0

data_NaVCo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.64
_cell_length_b   3.64
_cell_length_c   8.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaVCo2
_chemical_formula_sum   'Na2 V2 Co4'
_cell_volume   115.5
_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  0.19  1.0
  V  V1  2  0.29  0.0  0.07  1.0
  Co  Co2  2  0.0  0.0  0.13  1.0
  Co  Co3  2  0.29  0.0  0.72  1.0

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