# generated using pymatgen
data_TmFeB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33110528
_cell_length_b   5.83373797
_cell_length_c   11.28140080
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmFeB4
_chemical_formula_sum   'Tm4 Fe4 B16'
_cell_volume   219.22915305
_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
  Tm  Tm0  1  0.50000000  0.37313917  0.15031889  1.0
  Tm  Tm1  1  0.50000000  0.62686083  0.84968111  1.0
  Tm  Tm2  1  0.50000000  0.12686083  0.65031889  1.0
  Tm  Tm3  1  0.50000000  0.87313917  0.34968111  1.0
  Fe  Fe4  1  0.50000000  0.36642006  0.41116006  1.0
  Fe  Fe5  1  0.50000000  0.63357994  0.58883994  1.0
  Fe  Fe6  1  0.50000000  0.13357994  0.91116006  1.0
  Fe  Fe7  1  0.50000000  0.86642006  0.08883994  1.0
  B  B8  1  0.00000000  0.11178215  0.04626900  1.0
  B  B9  1  0.00000000  0.88821785  0.95373100  1.0
  B  B10  1  0.00000000  0.38821785  0.54626900  1.0
  B  B11  1  0.00000000  0.61178215  0.45373100  1.0
  B  B12  1  0.00000000  0.13852574  0.46842283  1.0
  B  B13  1  0.00000000  0.86147426  0.53157717  1.0
  B  B14  1  0.00000000  0.36147426  0.96842283  1.0
  B  B15  1  0.00000000  0.63852574  0.03157717  1.0
  B  B16  1  0.00000000  0.02434426  0.19074767  1.0
  B  B17  1  0.00000000  0.97565574  0.80925233  1.0
  B  B18  1  0.00000000  0.47565574  0.69074767  1.0
  B  B19  1  0.00000000  0.52434426  0.30925233  1.0
  B  B20  1  0.00000000  0.21672004  0.31598923  1.0
  B  B21  1  0.00000000  0.78327996  0.68401077  1.0
  B  B22  1  0.00000000  0.28327996  0.81598923  1.0
  B  B23  1  0.00000000  0.71672004  0.18401077  1.0