data_NaCo2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   2.42
_cell_angle_alpha   102.54
_cell_angle_beta   102.54
_cell_angle_gamma   114.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCo2B
_chemical_formula_sum   'Na1 Co2 B1'
_cell_volume   44.17
_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  0.53  0.0  0.0  1.0
  Co  Co1  1  0.78  0.03  0.11  1.0
  Co  Co2  1  0.78  0.97  0.11  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_NaCo2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.42
_cell_length_b   4.65
_cell_length_c   4.68
_cell_angle_alpha   118.37
_cell_angle_beta   102.54
_cell_angle_gamma   94.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCo2B
_chemical_formula_sum   'Na1 Co2 B1'
_cell_volume   44.17
_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  0.53  1.0
  Co  Co1  1  0.08  0.97  0.75  1.0
  Co  Co2  1  0.14  0.03  0.81  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Na Co Co B