data_Be3Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   4.4
_cell_angle_alpha   114.36
_cell_angle_beta   114.36
_cell_angle_gamma   114.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be3Se
_chemical_formula_sum   'Be3 Se1'
_cell_volume   50.46
_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  0.14  0.06  1.0
  Be  Be1  1  0.85  0.93  0.06  1.0
  Be  Be2  1  0.15  0.93  0.06  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Be3Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   4.4
_cell_length_c   4.4
_cell_angle_alpha   114.36
_cell_angle_beta   103.97
_cell_angle_gamma   103.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be3Se
_chemical_formula_sum   'Be3 Se1'
_cell_volume   50.46
_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  0.06  0.06  0.93  1.0
  Be  Be1  1  0.06  0.21  0.13  1.0
  Be  Be2  1  0.06  0.91  0.13  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Be Be Be Se