data_Na2ReB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03
_cell_length_b   3.02
_cell_length_c   8.5
_cell_angle_alpha   90.0
_cell_angle_beta   100.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ReB
_chemical_formula_sum   'Na2 Re1 B1'
_cell_volume   76.65
_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  0.48  0.51  0.53  1.0
  Na  Na2  1  0.57  0.0  0.7  1.0
  Re  Re3  1  0.15  0.51  0.22  1.0
  B  B0  1  0.64  0.0  0.11  1.0

data_Na2ReB
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.03
_cell_length_b   3.02
_cell_length_c   8.5
_cell_angle_alpha   90.0
_cell_angle_beta   100.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Na2ReB
_chemical_formula_sum   'Na2 Re1 B1'
_cell_volume   76.65
_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  0.48  0.5  0.53  1.0
  Na  Na1  1  0.57  0.0  0.7  1.0
  Re  Re2  1  0.15  0.5  0.22  1.0
  B  B3  1  0.64  0.0  0.11  1.0

Na Na Re B