data_SrBe2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   134.57
_cell_angle_beta   107.37
_cell_angle_gamma   89.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrBe2Si
_chemical_formula_sum   'Sr1 Be2 Si1'
_cell_volume   79.9
_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
  Sr  Sr3  1  0.0  0.0  0.52  1.0
  Be  Be0  1  0.92  0.0  0.07  1.0
  Be  Be1  1  0.0  0.95  0.46  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0

data_SrBe2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   72.63
_cell_angle_beta   67.29
_cell_angle_gamma   67.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrBe2Si
_chemical_formula_sum   'Sr1 Be2 Si1'
_cell_volume   79.9
_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
  Sr  Sr0  1  0.52  0.0  0.48  1.0
  Be  Be1  1  0.14  0.92  0.93  1.0
  Be  Be2  1  0.46  0.0  0.49  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

Sr Be Be Si
Sr Be Be Si 0 2 o - o 1 3 + o o 