data_Sr3Be
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.67
_cell_length_b   7.67
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Be
_chemical_formula_sum   'Sr6 Be2'
_cell_volume   306.1
_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
  Sr  Sr2  1  0.93  0.32  0.43  1.0
  Sr  Sr3  1  0.93  0.68  0.48  1.0
  Sr  Sr4  1  0.75  0.16  0.43  1.0
  Sr  Sr5  1  0.11  0.84  0.48  1.0
  Sr  Sr6  1  0.75  0.84  0.48  1.0
  Sr  Sr7  1  0.11  0.16  0.43  1.0
  Be  Be0  1  0.93  0.98  0.43  1.0
  Be  Be1  1  0.93  0.02  0.48  1.0

data_Sr3Be
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.91
_cell_length_b   7.67
_cell_length_c   7.67
_cell_angle_alpha   118.34
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Sr3Be
_chemical_formula_sum   'Sr6 Be2'
_cell_volume   306.1
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.02  0.32  0.84  1.0
  Sr  Sr1  2  0.02  0.5  0.68  1.0
  Sr  Sr2  2  0.02  0.68  0.84  1.0
  Be  Be3  2  0.02  0.5  0.02  1.0

Sr Sr Sr Sr Sr Sr Be Be