data_FeB5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   6.34
_cell_length_c   6.34
_cell_angle_alpha   25.48
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeB5
_chemical_formula_sum   'Fe1 B5'
_cell_volume   50.08
_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
  Fe  Fe5  1  0.45  0.0  0.13  1.0
  B  B0  1  0.0  0.0  0.81  1.0
  B  B1  1  0.45  0.0  1.0  1.0
  B  B2  1  0.0  0.0  0.44  1.0
  B  B3  1  0.45  0.0  0.77  1.0
  B  B4  1  0.0  0.0  0.73  1.0

data_FeB5
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   2.89
_cell_length_c   6.34
_cell_angle_alpha   90.0
_cell_angle_beta   102.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeB5
_chemical_formula_sum   'Fe1 B5'
_cell_volume   50.08
_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
  Fe  Fe0  1  0.87  0.45  0.87  1.0
  B  B1  1  0.0  0.45  0.0  1.0
  B  B2  1  0.19  0.0  0.19  1.0
  B  B3  1  0.23  0.45  0.23  1.0
  B  B4  1  0.27  0.0  0.27  1.0
  B  B5  1  0.56  0.0  0.56  1.0

Fe B B B B B
Fe B B B B B 0 2 o o - 1 5 o o o 1 4 o o o 2 4 o o o 3 5 o o o 4 5 o o o 