data_SrBe2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14
_cell_length_b   3.43
_cell_length_c   4.65
_cell_angle_alpha   90.0
_cell_angle_beta   95.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrBe2B
_chemical_formula_sum   'Sr1 Be2 B1'
_cell_volume   65.76
_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  Sr3  1  0.87  0.0  0.31  1.0
  Be  Be1  1  0.53  0.72  0.55  1.0
  Be  Be2  1  0.2  0.72  0.08  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_SrBe2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   4.14
_cell_length_c   4.65
_cell_angle_alpha   95.05
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrBe2B
_chemical_formula_sum   'Sr1 Be2 B1'
_cell_volume   65.76
_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  0.69  1.0
  Be  Be1  1  0.28  0.47  0.45  1.0
  Be  Be2  1  0.28  0.8  0.92  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Sr Be Be B