data_Y3FeB7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.04
_cell_length_b   8.04
_cell_length_c   9.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   155.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3FeB7
_chemical_formula_sum   'Y6 Fe2 B14'
_cell_volume   249.8
_cell_formula_units_Z   2
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
  Y  Y16  1  0.71  0.35  0.09  1.0
  Y  Y17  1  0.71  0.81  0.33  1.0
  Y  Y18  1  0.71  0.35  0.56  1.0
  Y  Y19  1  0.71  0.65  0.75  1.0
  Y  Y20  1  0.71  0.19  0.98  1.0
  Y  Y21  1  0.71  0.65  0.22  1.0
  Fe  Fe14  1  0.71  0.85  0.33  1.0
  Fe  Fe15  1  0.71  0.15  0.98  1.0
  B  B0  1  0.71  0.72  0.35  1.0
  B  B1  1  0.71  0.49  0.73  1.0
  B  B2  1  0.71  0.19  0.23  1.0
  B  B3  1  0.71  0.23  0.33  1.0
  B  B4  1  0.71  0.19  0.43  1.0
  B  B5  1  0.71  0.49  0.92  1.0
  B  B6  1  0.71  0.72  0.31  1.0
  B  B7  1  0.71  0.28  0.0  1.0
  B  B8  1  0.71  0.51  0.39  1.0
  B  B9  1  0.71  0.81  0.88  1.0
  B  B10  1  0.71  0.77  0.98  1.0
  B  B11  1  0.71  0.81  0.08  1.0
  B  B12  1  0.71  0.51  0.58  1.0
  B  B13  1  0.71  0.28  0.96  1.0

data_Y3FeB7
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.42
_cell_length_b   8.04
_cell_length_c   9.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.28
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Y3FeB7
_chemical_formula_sum   'Y6 Fe2 B14'
_cell_volume   249.8
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Y  Y0  2  0.19  0.69  0.17  1.0
  Y  Y1  2  0.35  0.85  0.06  1.0
  Y  Y2  2  0.35  0.85  0.59  1.0
  Fe  Fe3  2  0.15  0.65  0.17  1.0
  B  B4  2  0.19  0.69  0.73  1.0
  B  B5  2  0.19  0.69  0.93  1.0
  B  B6  2  0.23  0.73  0.83  1.0
  B  B7  2  0.28  0.78  0.15  1.0
  B  B8  2  0.28  0.78  0.19  1.0
  B  B9  2  0.49  0.99  0.23  1.0
  B  B10  2  0.49  0.99  0.42  1.0

Y Y Y Y Y Y Fe Fe B B B B B B B B B B B B B B