data_BeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.37
_cell_length_b   3.63
_cell_length_c   5.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSe
_chemical_formula_sum   'Be4 Se4'
_cell_volume   180.95
_cell_formula_units_Z   4
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  0.17  0.72  0.06  1.0
  Be  Be1  1  0.02  0.91  0.07  1.0
  Be  Be2  1  0.35  0.72  0.89  1.0
  Be  Be3  1  0.2  0.91  0.91  1.0
  Se  Se4  1  0.45  0.72  0.09  1.0
  Se  Se5  1  0.73  0.91  0.08  1.0
  Se  Se6  1  0.64  0.72  0.89  1.0
  Se  Se7  1  0.92  0.91  0.87  1.0

data_BeSe
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.63
_cell_length_b   5.96
_cell_length_c   8.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BeSe
_chemical_formula_sum   'Be4 Se4'
_cell_volume   180.95
_cell_formula_units_Z   4
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
  Be  Be0  2  0.41  0.41  0.17  1.0
  Be  Be1  2  0.41  0.57  0.98  1.0
  Se  Se2  2  0.41  0.41  0.45  1.0
  Se  Se3  2  0.41  0.61  0.27  1.0

Be Be Be Be Se Se Se Se