# generated using pymatgen
data_Tm3Lu(NiB4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74767078
_cell_length_b   6.74767082
_cell_length_c   6.74767036
_cell_angle_alpha   113.04323697
_cell_angle_beta   113.04324772
_cell_angle_gamma   102.54160779
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm3Lu(NiB4)4
_chemical_formula_sum   'Tm3 Lu1 Ni4 B16'
_cell_volume   233.95368570
_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  0.79556687  0.79556687  0.00000000  1.0
  Tm  Tm1  1  0.20443313  0.20443313  1.00000000  1.0
  Tm  Tm2  1  0.75000000  0.25000000  0.50000000  1.0
  Lu  Lu3  1  0.25000000  0.75000000  0.50000000  1.0
  Ni  Ni4  1  0.27175486  0.50020637  0.77154849  1.0
  Ni  Ni5  1  0.72865888  0.50020637  0.22845151  1.0
  Ni  Ni6  1  0.49979363  0.72824514  0.22845151  1.0
  Ni  Ni7  1  0.49979363  0.27134112  0.77154849  1.0
  B  B8  1  0.27612620  0.11171612  0.38739176  1.0
  B  B9  1  0.72432436  0.88873444  0.61260824  1.0
  B  B10  1  0.27612620  0.88873444  0.16440908  1.0
  B  B11  1  0.72432436  0.11171612  0.83559092  1.0
  B  B12  1  0.11126556  0.72387380  0.83559092  1.0
  B  B13  1  0.88828388  0.27567564  0.16440908  1.0
  B  B14  1  0.11126556  0.27567564  0.38739176  1.0
  B  B15  1  0.88828388  0.72387380  0.61260824  1.0
  B  B16  1  0.11515049  0.11434192  0.53534646  1.0
  B  B17  1  0.57899546  0.57980403  0.46465354  1.0
  B  B18  1  0.11515049  0.57980403  0.00080857  1.0
  B  B19  1  0.57899546  0.11434192  0.99919143  1.0
  B  B20  1  0.88565808  0.88484951  0.46465354  1.0
  B  B21  1  0.42019597  0.42100454  0.53534646  1.0
  B  B22  1  0.88565808  0.42100454  0.00080857  1.0
  B  B23  1  0.42019597  0.88484951  0.99919143  1.0