# generated using pymatgen
data_TmTh3(NiB4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.90742173
_cell_length_b   6.90742106
_cell_length_c   6.90742217
_cell_angle_alpha   112.78713699
_cell_angle_beta   112.78713333
_cell_angle_gamma   103.02538700
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmTh3(NiB4)4
_chemical_formula_sum   'Tm1 Th3 Ni4 B16'
_cell_volume   251.33228114
_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  0.25000000  0.75000000  0.50000000  1.0
  Th  Th1  1  0.20477863  0.20477863  0.00000000  1.0
  Th  Th2  1  0.79522137  0.79522137  1.00000000  1.0
  Th  Th3  1  0.75000000  0.25000000  0.50000000  1.0
  Ni  Ni4  1  0.49780480  0.26901656  0.77121176  1.0
  Ni  Ni5  1  0.49780480  0.72659403  0.22878824  1.0
  Ni  Ni6  1  0.73098344  0.50219520  0.22878824  1.0
  Ni  Ni7  1  0.27340597  0.50219520  0.77121176  1.0
  B  B8  1  0.11086348  0.27389199  0.38613343  1.0
  B  B9  1  0.88775756  0.72472906  0.61386657  1.0
  B  B10  1  0.88775756  0.27389199  0.16302950  1.0
  B  B11  1  0.11086348  0.72472906  0.83697050  1.0
  B  B12  1  0.72610801  0.88913652  0.61386657  1.0
  B  B13  1  0.27527094  0.11224244  0.38613343  1.0
  B  B14  1  0.72610801  0.11224244  0.83697050  1.0
  B  B15  1  0.27527094  0.88913652  0.16302950  1.0
  B  B16  1  0.41656201  0.42074211  0.53291498  1.0
  B  B17  1  0.88782813  0.88364702  0.46708502  1.0
  B  B18  1  0.57925789  0.11217187  0.99581890  1.0
  B  B19  1  0.11635298  0.58343799  0.00418110  1.0
  B  B20  1  0.57925789  0.58343799  0.46708502  1.0
  B  B21  1  0.11635298  0.11217187  0.53291498  1.0
  B  B22  1  0.88782813  0.42074211  0.00418110  1.0
  B  B23  1  0.41656201  0.88364702  0.99581890  1.0