data_BeFeRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   4.58
_cell_angle_alpha   100.91
_cell_angle_beta   100.91
_cell_angle_gamma   34.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeFeRe2
_chemical_formula_sum   'Be1 Fe1 Re2'
_cell_volume   51.71
_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  0.0  1.0
  Fe  Fe1  1  0.83  0.0  0.25  1.0
  Re  Re2  1  0.2  0.0  0.12  1.0
  Re  Re3  1  0.45  0.0  0.37  1.0

data_BeFeRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   4.49
_cell_length_c   4.58
_cell_angle_alpha   100.91
_cell_angle_beta   90.0
_cell_angle_gamma   107.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeFeRe2
_chemical_formula_sum   'Be1 Fe1 Re2'
_cell_volume   51.71
_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  0.0  1.0
  Fe  Fe1  1  0.0  0.17  0.75  1.0
  Re  Re2  1  0.0  0.55  0.63  1.0
  Re  Re3  1  0.0  0.8  0.88  1.0

Be Fe Re Re