data_La4Be5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.64
_cell_length_b   8.64
_cell_length_c   6.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La4Be5
_chemical_formula_sum   'La8 Be10'
_cell_volume   410.07
_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
  La  La10  1  0.0  0.0  0.17  1.0
  La  La11  1  0.0  0.0  0.0  1.0
  La  La12  1  0.61  0.78  0.76  1.0
  La  La13  1  0.43  0.0  0.76  1.0
  La  La14  1  0.29  0.7  0.76  1.0
  La  La15  1  0.71  0.7  0.59  1.0
  La  La16  1  0.21  0.0  0.59  1.0
  La  La17  1  0.39  0.78  0.59  1.0
  Be  Be0  1  0.98  0.17  0.76  1.0
  Be  Be1  1  0.68  0.0  0.76  1.0
  Be  Be2  1  0.66  0.32  0.76  1.0
  Be  Be3  1  0.34  0.32  0.59  1.0
  Be  Be4  1  0.96  0.0  0.59  1.0
  Be  Be5  1  0.02  0.17  0.59  1.0
  Be  Be6  1  0.0  0.99  0.17  1.0
  Be  Be7  1  0.32  0.49  0.0  1.0
  Be  Be8  1  0.32  0.49  0.17  1.0
  Be  Be9  1  0.0  0.99  0.0  1.0

data_La4Be5
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.34
_cell_length_b   8.64
_cell_length_c   8.64
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La4Be5
_chemical_formula_sum   'La8 Be10'
_cell_volume   410.07
_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
  La  La0  1  0.0  0.0  0.0  1.0
  La  La1  1  0.17  0.0  0.0  1.0
  La  La2  1  0.59  0.21  0.0  1.0
  La  La3  1  0.59  0.39  0.78  1.0
  La  La4  1  0.59  0.71  0.7  1.0
  La  La5  1  0.76  0.29  0.7  1.0
  La  La6  1  0.76  0.43  0.0  1.0
  La  La7  1  0.76  0.61  0.78  1.0
  Be  Be8  1  -0.0  0.32  0.49  1.0
  Be  Be9  1  -0.0  -0.0  0.99  1.0
  Be  Be10  1  0.17  -0.0  0.99  1.0
  Be  Be11  1  0.17  0.32  0.49  1.0
  Be  Be12  1  0.59  0.02  0.17  1.0
  Be  Be13  1  0.59  0.34  0.32  1.0
  Be  Be14  1  0.59  0.96  0.0  1.0
  Be  Be15  1  0.76  0.66  0.32  1.0
  Be  Be16  1  0.76  0.68  0.0  1.0
  Be  Be17  1  0.76  0.98  0.17  1.0

La La La La La La La La Be Be Be Be Be Be Be Be Be Be