data_BeBSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   3.54
_cell_angle_alpha   94.86
_cell_angle_beta   94.86
_cell_angle_gamma   28.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeBSe2
_chemical_formula_sum   'Be1 B1 Se2'
_cell_volume   76.46
_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  Be1  1  0.39  0.0  0.8  1.0
  B  B0  1  0.21  0.0  0.72  1.0
  Se  Se2  1  0.2  0.0  0.52  1.0
  Se  Se3  1  0.25  0.0  0.23  1.0

data_BeBSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   3.54
_cell_length_c   6.72
_cell_angle_alpha   94.86
_cell_angle_beta   104.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeBSe2
_chemical_formula_sum   'Be1 B1 Se2'
_cell_volume   76.46
_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  0.8  0.39  1.0
  B  B1  1  0.0  0.72  0.21  1.0
  Se  Se2  1  0.0  0.23  0.25  1.0
  Se  Se3  1  0.0  0.52  0.2  1.0

Be B Se Se
Be B Se Se 0 1 o o o 1 2 o o o 2 3 o o o 