data_NaBeRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.11
_cell_length_b   7.11
_cell_length_c   7.11
_cell_angle_alpha   158.83
_cell_angle_beta   158.83
_cell_angle_gamma   30.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBeRe
_chemical_formula_sum   'Na1 Be1 Re1'
_cell_volume   46.83
_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  0.63  1.0
  Be  Be0  1  0.0  0.0  0.28  1.0
  Re  Re2  1  0.0  0.0  0.83  1.0

data_NaBeRe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.69
_cell_length_b   3.69
_cell_length_c   7.11
_cell_angle_alpha   90.0
_cell_angle_beta   105.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaBeRe
_chemical_formula_sum   'Na2 Be2 Re2'
_cell_volume   93.66
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.13  0.5  0.63  1.0
  Be  Be1  2  0.28  0.0  0.28  1.0
  Re  Re2  2  0.33  0.5  0.83  1.0

Na Be Re
Na Be Re 0 2 o o o 0 1 o o o 1 1 + o + 1 1 o + + 