data_Sr2LiBe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.36
_cell_length_b   8.36
_cell_length_c   8.36
_cell_angle_alpha   30.97
_cell_angle_beta   30.97
_cell_angle_gamma   30.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2LiBe
_chemical_formula_sum   'Sr2 Li1 Be1'
_cell_volume   137.49
_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  Sr2  1  0.0  0.0  1.0  1.0
  Sr  Sr3  1  0.0  0.0  0.78  1.0
  Li  Li1  1  0.0  0.0  0.97  1.0
  Be  Be0  1  0.0  0.0  0.93  1.0

data_Sr2LiBe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.74
_cell_length_b   4.47
_cell_length_c   8.36
_cell_angle_alpha   90.0
_cell_angle_beta   107.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2LiBe
_chemical_formula_sum   'Sr4 Li2 Be2'
_cell_volume   274.98
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Sr  Sr1  2  0.0  0.0  0.22  1.0
  Li  Li2  2  0.0  0.0  0.03  1.0
  Be  Be3  2  0.0  0.0  0.07  1.0

Sr Sr Li Be
Sr Sr Li Be 0 2 o o o 1 3 o o o 2 3 o o o 