data_NaTaB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   2.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTaB2
_chemical_formula_sum   'Na1 Ta1 B2'
_cell_volume   48.66
_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  0.0  1.0
  Ta  Ta3  1  0.01  0.0  0.0  1.0
  B  B0  1  0.51  0.48  0.33  1.0
  B  B1  1  0.51  0.52  0.33  1.0

data_NaTaB2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.65
_cell_length_b   4.29
_cell_length_c   4.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NaTaB2
_chemical_formula_sum   'Na1 Ta1 B2'
_cell_volume   48.67
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  1.0
  Ta  Ta1  1  0.0  0.0  0.01  1.0
  B  B2  2  0.33  0.48  0.51  1.0

Na Ta B B