data_Be2FeRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   4.54
_cell_angle_alpha   144.66
_cell_angle_beta   129.48
_cell_angle_gamma   63.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2FeRe
_chemical_formula_sum   'Be2 Fe1 Re1'
_cell_volume   41.27
_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
  Be  Be0  1  0.0  0.0  0.72  1.0
  Be  Be1  1  0.38  0.0  0.02  1.0
  Fe  Fe2  1  0.0  0.0  0.1  1.0
  Re  Re3  1  0.0  0.94  0.89  1.0

data_Be2FeRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   3.87
_cell_length_c   4.54
_cell_angle_alpha   115.26
_cell_angle_beta   107.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2FeRe
_chemical_formula_sum   'Be2 Fe1 Re1'
_cell_volume   41.27
_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
  Be  Be0  1  0.28  0.28  0.28  1.0
  Be  Be1  1  0.36  0.98  0.36  1.0
  Fe  Fe2  1  0.9  0.9  0.9  1.0
  Re  Re3  1  0.11  0.05  0.05  1.0

Be Be Fe Re
Be Be Fe Re 0 3 o - o 0 1 o o + 1 3 o - - 2 3 o - - 