data_BeRe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41
_cell_length_b   5.36
_cell_length_c   4.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeRe3
_chemical_formula_sum   'Be2 Re6'
_cell_volume   110.09
_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  0.0  0.09  1.0
  Be  Be1  1  0.2  0.68  0.57  1.0
  Re  Re2  1  0.2  0.0  0.6  1.0
  Re  Re3  1  0.0  0.68  0.06  1.0
  Re  Re4  1  0.0  0.35  0.82  1.0
  Re  Re5  1  0.0  0.01  0.82  1.0
  Re  Re6  1  0.2  0.03  0.84  1.0
  Re  Re7  1  0.2  0.33  0.84  1.0

data_BeRe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.41
_cell_length_b   4.66
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeRe3
_chemical_formula_sum   'Be2 Re6'
_cell_volume   110.09
_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  0.91  0.0  1.0
  Be  Be1  1  0.8  0.43  0.32  1.0
  Re  Re2  1  0.0  0.18  0.65  1.0
  Re  Re3  1  0.0  0.18  0.99  1.0
  Re  Re4  1  0.0  0.94  0.32  1.0
  Re  Re5  1  0.8  0.16  0.67  1.0
  Re  Re6  1  0.8  0.16  0.97  1.0
  Re  Re7  1  0.8  0.4  0.0  1.0

Be Be Re Re Re Re Re Re
Be Be Re Re Re Re Re Re 0 6 o o - 0 5 o o - 0 3 o - o 1 2 o + o 2 5 o o o 2 6 o o o 3 4 o o - 3 5 o + - 4 7 o o o 5 6 o o o 