data_NaBeRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   2.59
_cell_angle_alpha   98.93
_cell_angle_beta   98.93
_cell_angle_gamma   120.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBeRe2
_chemical_formula_sum   'Na1 Be1 Re2'
_cell_volume   58.97
_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  0.61  0.0  0.0  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.9  0.71  0.23  1.0
  Re  Re3  1  0.9  0.29  0.23  1.0

data_NaBeRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.59
_cell_length_b   5.05
_cell_length_c   5.28
_cell_angle_alpha   115.61
_cell_angle_beta   98.93
_cell_angle_gamma   100.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBeRe2
_chemical_formula_sum   'Na1 Be1 Re2'
_cell_volume   58.97
_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  0.0  0.61  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.52  0.29  0.19  1.0
  Re  Re3  1  0.94  0.71  0.61  1.0

Na Be Re Re
Na Be Re Re 0 3 o o o 1 3 - o o 1 2 - - o 