data_NaCo2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   3.25
_cell_length_c   7.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCo2Sb
_chemical_formula_sum   'Na1 Co2 Sb1'
_cell_volume   74.32
_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  0.41  1.0
  Co  Co0  1  0.0  0.0  0.34  1.0
  Co  Co1  1  0.53  0.63  0.29  1.0
  Sb  Sb3  1  0.53  0.63  0.16  1.0

data_NaCo2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   3.25
_cell_length_c   7.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCo2Sb
_chemical_formula_sum   'Na1 Co2 Sb1'
_cell_volume   74.32
_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  0.41  1.0
  Co  Co1  1  0.0  0.0  0.34  1.0
  Co  Co2  1  0.53  0.63  0.29  1.0
  Sb  Sb3  1  0.53  0.63  0.16  1.0

Na Co Co Sb
Na Co Co Sb 0 1 o o o 2 3 o o o 