data_Sr2BeGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   7.14
_cell_angle_alpha   103.95
_cell_angle_beta   103.95
_cell_angle_gamma   48.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2BeGe
_chemical_formula_sum   'Sr2 Be1 Ge1'
_cell_volume   127.83
_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  0.35  0.0  0.76  1.0
  Sr  Sr3  1  0.87  0.0  0.13  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.61  0.0  0.44  1.0

data_Sr2BeGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.07
_cell_length_b   4.99
_cell_length_c   7.14
_cell_angle_alpha   103.95
_cell_angle_beta   90.0
_cell_angle_gamma   114.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2BeGe
_chemical_formula_sum   'Sr2 Be1 Ge1'
_cell_volume   127.83
_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  0.0  0.13  0.87  1.0
  Sr  Sr1  1  0.0  0.65  0.24  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.0  0.39  0.56  1.0

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