# generated using pymatgen
data_TmFe4B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03323939
_cell_length_b   5.03076591
_cell_length_c   7.02387500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.01626182
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmFe4B
_chemical_formula_sum   'Tm2 Fe8 B2'
_cell_volume   153.99900432
_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
  Tm  Tm0  1  0.99997600  0.00000000  0.00000000  1.0
  Tm  Tm1  1  0.99998800  0.00000000  0.50000000  1.0
  Fe  Fe2  1  0.33324700  0.66653800  0.00000000  1.0
  Fe  Fe3  1  0.66670900  0.33346200  0.00000000  1.0
  Fe  Fe4  1  0.49998500  0.00000000  0.28607300  1.0
  Fe  Fe5  1  0.49998500  0.50000100  0.28602200  1.0
  Fe  Fe6  1  0.99998400  0.49999900  0.28602200  1.0
  Fe  Fe7  1  0.49998500  0.00000000  0.71392700  1.0
  Fe  Fe8  1  0.49998500  0.50000100  0.71397800  1.0
  Fe  Fe9  1  0.99998400  0.49999900  0.71397800  1.0
  B  B10  1  0.33342600  0.66687800  0.50000000  1.0
  B  B11  1  0.66654700  0.33312200  0.50000000  1.0