data_BeSiSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   3.59
_cell_length_c   6.34
_cell_angle_alpha   90.0
_cell_angle_beta   106.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSiSe2
_chemical_formula_sum   'Be1 Si1 Se2'
_cell_volume   108.84
_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
  Be  Be0  1  0.17  0.0  0.63  1.0
  Si  Si3  1  0.5  0.8  0.03  1.0
  Se  Se1  1  0.55  0.8  0.65  1.0
  Se  Se2  1  0.04  0.0  0.79  1.0

data_BeSiSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   4.99
_cell_length_c   6.34
_cell_angle_alpha   106.65
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSiSe2
_chemical_formula_sum   'Be1 Si1 Se2'
_cell_volume   108.84
_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
  Be  Be0  1  0.0  0.83  0.37  1.0
  Si  Si1  1  0.2  0.5  0.97  1.0
  Se  Se2  1  0.0  0.96  0.21  1.0
  Se  Se3  1  0.2  0.45  0.35  1.0

Be Si Se Se
Be Si Se Se 0 3 o o o 0 1 o - + 0 2 o - o 1 3 o + - 1 2 o o - 2 3 + + o 