data_BeBiSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82
_cell_length_b   3.47
_cell_length_c   6.78
_cell_angle_alpha   90.0
_cell_angle_beta   102.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeBiSe2
_chemical_formula_sum   'Be1 Bi1 Se2'
_cell_volume   87.62
_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  0.0  0.0  1.0
  Bi  Bi1  1  0.18  0.0  0.31  1.0
  Se  Se2  1  0.23  0.73  0.23  1.0
  Se  Se3  1  0.13  0.73  0.39  1.0

data_BeBiSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   3.82
_cell_length_c   6.78
_cell_angle_alpha   102.5
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeBiSe2
_chemical_formula_sum   'Be1 Bi1 Se2'
_cell_volume   87.62
_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  0.0  0.0  1.0
  Bi  Bi1  1  0.0  0.82  0.69  1.0
  Se  Se2  1  0.27  0.77  0.77  1.0
  Se  Se3  1  0.27  0.87  0.61  1.0

Be Bi Se Se