data_Sr2BeNb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.02
_cell_length_b   9.02
_cell_length_c   9.02
_cell_angle_alpha   26.35
_cell_angle_beta   26.35
_cell_angle_gamma   26.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2BeNb
_chemical_formula_sum   'Sr2 Be1 Nb1'
_cell_volume   127.53
_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  0.77  1.0
  Sr  Sr3  1  0.0  0.0  0.61  1.0
  Be  Be0  1  0.0  0.0  0.28  1.0
  Nb  Nb1  1  0.0  0.0  0.52  1.0

data_Sr2BeNb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.12
_cell_length_b   4.11
_cell_length_c   9.02
_cell_angle_alpha   90.0
_cell_angle_beta   105.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2BeNb
_chemical_formula_sum   'Sr4 Be2 Nb2'
_cell_volume   255.06
_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  0.23  1.0
  Sr  Sr1  2  0.0  0.0  0.39  1.0
  Be  Be2  2  0.0  0.0  0.72  1.0
  Nb  Nb3  2  0.0  0.0  0.48  1.0

Sr Sr Be Nb
Sr Sr Be Nb 0 1 o o o 1 3 o o o 2 3 o o o 