data_NaCo2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.69
_cell_length_b   6.69
_cell_length_c   6.69
_cell_angle_alpha   158.32
_cell_angle_beta   152.83
_cell_angle_gamma   35.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCo2B
_chemical_formula_sum   'Na1 Co2 B1'
_cell_volume   50.54
_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  0.57  0.92  1.0
  Co  Co1  1  0.0  0.57  0.12  1.0
  Co  Co2  1  0.0  0.0  0.28  1.0
  B  B0  1  0.0  0.0  0.83  1.0

data_NaCo2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.52
_cell_length_b   3.14
_cell_length_c   6.69
_cell_angle_alpha   103.58
_cell_angle_beta   100.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCo2B
_chemical_formula_sum   'Na1 Co2 B1'
_cell_volume   50.54
_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  0.43  0.34  0.34  1.0
  Co  Co1  1  0.0  0.28  0.28  1.0
  Co  Co2  1  0.43  0.55  0.55  1.0
  B  B3  1  0.0  0.83  0.83  1.0

Na Co Co B