data_NaRe2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   2.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaRe2B
_chemical_formula_sum   'Na1 Re2 B1'
_cell_volume   55.94
_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  0.62  0.0  0.0  1.0
  Re  Re2  1  0.31  0.89  0.27  1.0
  Re  Re3  1  0.31  0.11  0.27  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_NaRe2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.53
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   116.37
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaRe2B
_chemical_formula_sum   'Na1 Re2 B1'
_cell_volume   55.94
_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  0.62  0.0  1.0
  Re  Re1  1  0.27  0.31  0.11  1.0
  Re  Re2  1  0.27  0.31  0.89  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Na Re Re B