data_Sr2LiBe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85
_cell_length_b   6.85
_cell_length_c   6.85
_cell_angle_alpha   148.02
_cell_angle_beta   132.39
_cell_angle_gamma   58.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2LiBe
_chemical_formula_sum   'Sr2 Li1 Be1'
_cell_volume   124.71
_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  0.76  0.95  1.0
  Sr  Sr3  1  0.0  0.0  0.56  1.0
  Li  Li1  1  0.0  0.0  0.16  1.0
  Be  Be0  1  0.0  0.76  0.26  1.0

data_Sr2LiBe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   5.53
_cell_length_c   6.85
_cell_angle_alpha   113.8
_cell_angle_beta   105.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2LiBe
_chemical_formula_sum   'Sr2 Li1 Be1'
_cell_volume   124.71
_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  0.05  0.81  0.81  1.0
  Sr  Sr1  1  0.44  0.44  0.44  1.0
  Li  Li2  1  0.84  0.84  0.84  1.0
  Be  Be3  1  0.74  0.5  0.5  1.0

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