data_Sr2BeFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   7.53
_cell_angle_alpha   99.08
_cell_angle_beta   99.08
_cell_angle_gamma   43.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2BeFe
_chemical_formula_sum   'Sr2 Be1 Fe1'
_cell_volume   109.13
_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  0.09  0.0  0.93  1.0
  Sr  Sr3  1  0.19  0.0  0.48  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.64  0.0  0.71  1.0

data_Sr2BeFe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   4.61
_cell_length_c   7.53
_cell_angle_alpha   99.08
_cell_angle_beta   90.0
_cell_angle_gamma   111.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2BeFe
_chemical_formula_sum   'Sr2 Be1 Fe1'
_cell_volume   109.13
_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  0.81  0.52  1.0
  Sr  Sr1  1  0.0  0.91  0.07  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Fe  Fe3  1  0.0  0.36  0.29  1.0

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