data_Be4Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   4.38
_cell_angle_alpha   98.61
_cell_angle_beta   98.61
_cell_angle_gamma   134.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be4Se
_chemical_formula_sum   'Be4 Se1'
_cell_volume   55.4
_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  0.33  0.96  0.0  1.0
  Be  Be1  1  0.96  0.39  0.0  1.0
  Be  Be2  1  0.53  0.89  0.7  1.0
  Be  Be3  1  0.89  0.47  0.7  1.0
  Se  Se4  1  0.0  0.0  0.0  1.0

data_Be4Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   4.38
_cell_length_c   4.38
_cell_angle_alpha   81.39
_cell_angle_beta   67.24
_cell_angle_gamma   67.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be4Se
_chemical_formula_sum   'Be4 Se1'
_cell_volume   55.4
_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  0.39  0.58  0.0  1.0
  Be  Be1  1  0.47  0.42  0.3  1.0
  Be  Be2  1  0.89  0.64  0.3  1.0
  Be  Be3  1  0.96  0.36  0.0  1.0
  Se  Se4  1  0.0  0.0  0.0  1.0

Be Be Be Be Se