data_BeRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.7
_cell_length_b   2.7
_cell_length_c   7.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeRe
_chemical_formula_sum   'Be2 Re2'
_cell_volume   50.28
_cell_formula_units_Z   2
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  0.35  0.78  0.96  1.0
  Be  Be1  1  0.0  0.56  0.99  1.0
  Re  Re2  1  0.0  0.0  0.97  1.0
  Re  Re3  1  0.0  0.0  0.0  1.0

data_BeRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   2.7
_cell_length_c   7.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeRe
_chemical_formula_sum   'Be2 Re2'
_cell_volume   50.28
_cell_formula_units_Z   2
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  0.56  0.99  1.0
  Be  Be1  1  0.35  0.78  0.96  1.0
  Re  Re2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.0  0.97  1.0

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