data_BeFe2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   4.37
_cell_angle_alpha   131.81
_cell_angle_beta   131.81
_cell_angle_gamma   70.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeFe2Re
_chemical_formula_sum   'Be1 Fe2 Re1'
_cell_volume   45.38
_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  0.78  0.0  0.78  1.0
  Fe  Fe2  1  0.0  0.0  0.57  1.0
  Re  Re3  1  0.0  0.78  0.78  1.0

data_BeFe2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   3.57
_cell_length_c   4.37
_cell_angle_alpha   114.09
_cell_angle_beta   114.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeFe2Re
_chemical_formula_sum   'Be1 Fe2 Re1'
_cell_volume   45.38
_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  0.57  0.57  0.57  1.0
  Fe  Fe2  1  0.78  0.0  0.0  1.0
  Re  Re3  1  0.0  0.78  0.0  1.0

Be Fe Fe Re