# generated using pymatgen
data_Tm3U(NiB4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77421070
_cell_length_b   6.77410771
_cell_length_c   6.77391206
_cell_angle_alpha   113.02968698
_cell_angle_beta   113.03052811
_cell_angle_gamma   102.56357162
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm3U(NiB4)4
_chemical_formula_sum   'Tm3 U1 Ni4 B16'
_cell_volume   236.73655404
_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  0.20356996  0.20359869  0.00002924  1.0
  Tm  Tm1  1  0.79636771  0.79643094  0.99993604  1.0
  Tm  Tm2  1  0.75001284  0.24999453  0.50000620  1.0
  U  U3  1  0.24999899  0.75001492  0.49999953  1.0
  Ni  Ni4  1  0.50287291  0.27622697  0.77339607  1.0
  Ni  Ni5  1  0.50287583  0.72948797  0.22664098  1.0
  Ni  Ni6  1  0.72375002  0.49712905  0.22659049  1.0
  Ni  Ni7  1  0.27052794  0.49713005  0.77337647  1.0
  B  B8  1  0.11304739  0.27781949  0.38821853  1.0
  B  B9  1  0.88963006  0.72480197  0.61176306  1.0
  B  B10  1  0.88962374  0.27782722  0.16480872  1.0
  B  B11  1  0.11304194  0.72481852  0.83522585  1.0
  B  B12  1  0.72217022  0.88696270  0.61177960  1.0
  B  B13  1  0.27519193  0.11036136  0.38823730  1.0
  B  B14  1  0.72217878  0.11038263  0.83519605  1.0
  B  B15  1  0.27518514  0.88696161  0.16478788  1.0
  B  B16  1  0.42014469  0.42017606  0.53444322  1.0
  B  B17  1  0.88573088  0.88570553  0.46554274  1.0
  B  B18  1  0.57980592  0.11427321  0.99996152  1.0
  B  B19  1  0.11431433  0.57987485  0.00009012  1.0
  B  B20  1  0.57981815  0.57985331  0.46555856  1.0
  B  B21  1  0.11429433  0.11427482  0.53446069  1.0
  B  B22  1  0.88573067  0.42020135  0.00004451  1.0
  B  B23  1  0.42011762  0.88569124  0.99990863  1.0