data_NaV2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.06
_cell_length_b   4.06
_cell_length_c   6.6
_cell_angle_alpha   95.6
_cell_angle_beta   95.6
_cell_angle_gamma   38.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaV2Co
_chemical_formula_sum   'Na1 V2 Co1'
_cell_volume   67.2
_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  0.61  0.0  0.75  1.0
  V  V2  1  0.89  0.0  0.05  1.0
  V  V3  1  0.45  0.0  0.75  1.0
  Co  Co0  1  0.54  0.0  0.85  1.0

data_NaV2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   4.06
_cell_length_c   6.6
_cell_angle_alpha   95.6
_cell_angle_beta   90.0
_cell_angle_gamma   109.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaV2Co
_chemical_formula_sum   'Na1 V2 Co1'
_cell_volume   67.2
_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  0.39  0.25  1.0
  V  V1  1  0.0  0.11  0.95  1.0
  V  V2  1  0.0  0.55  0.25  1.0
  Co  Co3  1  0.0  0.46  0.15  1.0

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