data_Be3Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.46
_cell_length_b   4.04
_cell_length_c   4.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be3Si
_chemical_formula_sum   'Be3 Si1'
_cell_volume   39.87
_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  0.23  0.0  0.0  1.0
  Be  Be1  1  0.0  0.0  0.04  1.0
  Be  Be2  1  0.0  0.02  0.33  1.0
  Si  Si3  1  0.23  0.02  0.33  1.0

data_Be3Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.46
_cell_length_b   4.02
_cell_length_c   4.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be3Si
_chemical_formula_sum   'Be3 Si1'
_cell_volume   39.87
_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  0.67  0.98  1.0
  Be  Be1  1  0.0  0.96  0.0  1.0
  Be  Be2  1  0.77  1.0  0.0  1.0
  Si  Si3  1  0.77  0.67  0.98  1.0

Be Be Be Si
Be Be Be Si 0 1 o o o 2 3 o o o 