data_BeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.6
_cell_length_b   3.6
_cell_length_c   6.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSe
_chemical_formula_sum   'Be2 Se2'
_cell_volume   76.9
_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  0.8  0.04  0.07  1.0
  Be  Be1  1  0.0  0.08  0.77  1.0
  Se  Se2  1  0.8  0.04  0.55  1.0
  Se  Se3  1  0.0  0.08  0.29  1.0

data_BeSe
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.6
_cell_length_b   3.6
_cell_length_c   6.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BeSe
_chemical_formula_sum   'Be2 Se2'
_cell_volume   76.9
_cell_formula_units_Z   2
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  0.4  0.98  0.65  1.0
  Se  Se1  2  0.4  0.98  0.13  1.0

Be Be Se Se