data_LiBe2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   2.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBe2Re
_chemical_formula_sum   'Li1 Be2 Re1'
_cell_volume   44.37
_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
  Li  Li2  1  0.0  0.0  0.0  1.0
  Be  Be0  1  0.45  0.47  0.3  1.0
  Be  Be1  1  0.45  0.53  0.3  1.0
  Re  Re3  1  0.89  0.0  0.0  1.0

data_LiBe2Re
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.6
_cell_length_b   4.13
_cell_length_c   4.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LiBe2Re
_chemical_formula_sum   'Li1 Be2 Re1'
_cell_volume   44.38
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Be  Be1  2  0.3  0.47  0.45  1.0
  Re  Re2  1  0.0  0.0  0.89  1.0

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