data_Sr2BeNb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93
_cell_length_b   5.93
_cell_length_c   5.93
_cell_angle_alpha   132.68
_cell_angle_beta   132.68
_cell_angle_gamma   69.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2BeNb
_chemical_formula_sum   'Sr2 Be1 Nb1'
_cell_volume   110.43
_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  0.88  1.0
  Sr  Sr3  1  0.0  0.38  0.44  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.38  0.0  0.44  1.0

data_Sr2BeNb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   5.93
_cell_angle_alpha   113.66
_cell_angle_beta   113.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2BeNb
_chemical_formula_sum   'Sr2 Be1 Nb1'
_cell_volume   110.43
_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  0.06  0.44  0.06  1.0
  Sr  Sr1  1  0.88  0.88  0.88  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Nb  Nb3  1  0.44  0.06  0.06  1.0

Sr Sr Be Nb