# generated using pymatgen
data_Y3FeB7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42114595
_cell_length_b   15.73135112
_cell_length_c   9.31454015
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3FeB7
_chemical_formula_sum   'Y12 Fe4 B28'
_cell_volume   501.30154794
_cell_formula_units_Z   4
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  Y0  1  0.00000000  0.24260500  0.25000000  1
  Y  Y1  1  0.50000000  0.25739500  0.75000000  1
  Y  Y2  1  0.00000000  0.10482200  0.56062200  1
  Y  Y3  1  0.50000000  0.39517800  0.43937800  1
  Y  Y4  1  0.50000000  0.39517800  0.06062200  1
  Y  Y5  1  0.00000000  0.10482200  0.93937800  1
  Y  Y6  1  0.50000000  0.74260500  0.25000000  1
  Y  Y7  1  0.00000000  0.75739500  0.75000000  1
  Y  Y8  1  0.50000000  0.60482200  0.56062200  1
  Y  Y9  1  0.00000000  0.89517800  0.43937800  1
  Y  Y10  1  0.00000000  0.89517800  0.06062200  1
  Y  Y11  1  0.50000000  0.60482200  0.93937800  1
  Fe  Fe12  1  0.00000000  0.05432200  0.25000000  1
  Fe  Fe13  1  0.50000000  0.44567800  0.75000000  1
  Fe  Fe14  1  0.50000000  0.55432200  0.25000000  1
  Fe  Fe15  1  0.00000000  0.94567800  0.75000000  1
  B  B16  1  0.00000000  0.46062400  0.25000000  1
  B  B17  1  0.50000000  0.03937600  0.75000000  1
  B  B18  1  0.00000000  0.47813400  0.90134900  1
  B  B19  1  0.50000000  0.02186600  0.09865100  1
  B  B20  1  0.50000000  0.02186600  0.40134900  1
  B  B21  1  0.00000000  0.47813400  0.59865100  1
  B  B22  1  0.00000000  0.37022500  0.84679600  1
  B  B23  1  0.50000000  0.12977500  0.15320400  1
  B  B24  1  0.00000000  0.27247500  0.96698000  1
  B  B25  1  0.50000000  0.22752500  0.03302000  1
  B  B26  1  0.50000000  0.22752500  0.46698000  1
  B  B27  1  0.00000000  0.27247500  0.53302000  1
  B  B28  1  0.00000000  0.37022500  0.65320400  1
  B  B29  1  0.50000000  0.12977500  0.34679600  1
  B  B30  1  0.50000000  0.96062400  0.25000000  1
  B  B31  1  0.00000000  0.53937600  0.75000000  1
  B  B32  1  0.50000000  0.97813400  0.90134900  1
  B  B33  1  0.00000000  0.52186600  0.09865100  1
  B  B34  1  0.00000000  0.52186600  0.40134900  1
  B  B35  1  0.50000000  0.97813400  0.59865100  1
  B  B36  1  0.50000000  0.87022500  0.84679600  1
  B  B37  1  0.00000000  0.62977500  0.15320400  1
  B  B38  1  0.50000000  0.77247500  0.96698000  1
  B  B39  1  0.00000000  0.72752500  0.03302000  1
  B  B40  1  0.00000000  0.72752500  0.46698000  1
  B  B41  1  0.50000000  0.77247500  0.53302000  1
  B  B42  1  0.50000000  0.87022500  0.65320400  1
  B  B43  1  0.00000000  0.62977500  0.34679600  1
