data_BeSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.75
_cell_length_b   17.75
_cell_length_c   17.75
_cell_angle_alpha   168.51
_cell_angle_beta   168.51
_cell_angle_gamma   16.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSe3
_chemical_formula_sum   'Be2 Se6'
_cell_volume   221.74
_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  0.0  0.0  0.05  1.0
  Se  Se2  1  0.0  0.78  0.0  1.0
  Se  Se3  1  0.78  0.0  0.0  1.0
  Se  Se4  1  0.78  0.0  0.79  1.0
  Se  Se5  1  0.0  0.78  0.79  1.0
  Se  Se6  1  0.0  0.0  0.64  1.0
  Se  Se7  1  0.0  0.0  0.5  1.0

data_BeSe3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   17.75
_cell_angle_alpha   90.0
_cell_angle_beta   98.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeSe3
_chemical_formula_sum   'Be4 Se12'
_cell_volume   443.49
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.05  0.0  0.05  1.0
  Be  Be1  2  0.09  0.0  0.09  1.0
  Se  Se2  4  0.11  0.89  0.22  1.0
  Se  Se3  4  0.4  0.39  0.01  1.0
  Se  Se4  2  0.0  0.5  0.5  1.0
  Se  Se5  2  0.14  0.5  0.64  1.0

Be Be Se Se Se Se Se Se