data_NaRe2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92
_cell_length_b   5.92
_cell_length_c   5.92
_cell_angle_alpha   147.28
_cell_angle_beta   123.73
_cell_angle_gamma   66.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaRe2Br
_chemical_formula_sum   'Na1 Re2 Br1'
_cell_volume   91.94
_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  0.0  0.0  0.26  1.0
  Re  Re2  1  0.67  0.0  0.7  1.0
  Re  Re3  1  0.0  0.0  0.32  1.0
  Br  Br0  1  0.67  0.0  0.55  1.0

data_NaRe2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   5.58
_cell_length_c   5.92
_cell_angle_alpha   118.14
_cell_angle_beta   106.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaRe2Br
_chemical_formula_sum   'Na1 Re2 Br1'
_cell_volume   91.94
_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  0.74  0.74  0.74  1.0
  Re  Re1  1  0.68  0.68  0.68  1.0
  Re  Re2  1  0.96  0.3  0.96  1.0
  Br  Br3  1  0.12  0.45  0.12  1.0

Na Re Re Br