data_Sr3Be
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.0
_cell_length_b   7.0
_cell_length_c   7.0
_cell_angle_alpha   116.51
_cell_angle_beta   116.51
_cell_angle_gamma   116.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Be
_chemical_formula_sum   'Sr3 Be1'
_cell_volume   162.43
_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  Sr1  1  0.98  0.28  0.32  1.0
  Sr  Sr2  1  0.0  0.44  0.32  1.0
  Sr  Sr3  1  0.02  0.28  0.32  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0

data_Sr3Be
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.97
_cell_length_b   7.0
_cell_length_c   7.0
_cell_angle_alpha   116.51
_cell_angle_beta   100.89
_cell_angle_gamma   100.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Be
_chemical_formula_sum   'Sr3 Be1'
_cell_volume   162.43
_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  0.32  0.3  0.04  1.0
  Sr  Sr1  1  0.32  0.35  0.04  1.0
  Sr  Sr2  1  0.32  0.32  0.89  1.0
  Be  Be3  1  0.0  0.0  0.0  1.0

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