# generated using pymatgen
data_Tm4Th(FeB3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37404675
_cell_length_b   5.37404861
_cell_length_c   8.00897801
_cell_angle_alpha   70.39697504
_cell_angle_beta   70.39697180
_cell_angle_gamma   60.00000964
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm4Th(FeB3)2
_chemical_formula_sum   'Tm4 Th1 Fe2 B6'
_cell_volume   184.67131280
_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
  Tm  Tm0  1  0.74888619  0.74888619  0.75334143  1.0
  Tm  Tm1  1  0.25111381  0.25111381  0.24665857  1.0
  Tm  Tm2  1  0.58426817  0.58426817  0.24719350  1.0
  Tm  Tm3  1  0.41573183  0.41573183  0.75280650  1.0
  Th  Th4  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe5  1  0.88791952  0.88791952  0.33624244  1.0
  Fe  Fe6  1  0.11208048  0.11208048  0.66375756  1.0
  B  B7  1  0.50000000  0.16764629  0.50000000  1.0
  B  B8  1  0.83235371  0.50000000  0.50000000  1.0
  B  B9  1  0.16764629  0.83235471  0.50000000  1.0
  B  B10  1  0.16764629  0.50000000  0.50000000  1.0
  B  B11  1  0.83235371  0.16764629  0.50000000  1.0
  B  B12  1  0.50000000  0.83235371  0.50000000  1.0