# generated using pymatgen
data_SmTh3(NiB4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.93810700
_cell_length_b   6.93810728
_cell_length_c   6.93810678
_cell_angle_alpha   112.73732295
_cell_angle_beta   112.73732456
_cell_angle_gamma   103.11969443
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmTh3(NiB4)4
_chemical_formula_sum   'Sm1 Th3 Ni4 B16'
_cell_volume   254.76590448
_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
  Sm  Sm0  1  0.79718651  0.79718651  0.00000000  1.0
  Th  Th1  1  0.74969354  0.24969354  0.50000000  1.0
  Th  Th2  1  0.24969354  0.74969354  0.50000000  1.0
  Th  Th3  1  0.20471007  0.20471007  1.00000000  1.0
  Ni  Ni4  1  0.49983420  0.27274540  0.77291119  1.0
  Ni  Ni5  1  0.49983420  0.72692301  0.22708881  1.0
  Ni  Ni6  1  0.72692301  0.49983420  0.22708881  1.0
  Ni  Ni7  1  0.27274540  0.49983420  0.77291119  1.0
  B  B8  1  0.41784593  0.41784593  0.53214598  1.0
  B  B9  1  0.88569995  0.88569995  0.46785402  1.0
  B  B10  1  0.58263164  0.11353521  1.00000000  1.0
  B  B11  1  0.11353521  0.58263164  1.00000000  1.0
  B  B12  1  0.58263164  0.58263164  0.46909643  1.0
  B  B13  1  0.11353521  0.11353521  0.53090357  1.0
  B  B14  1  0.88569995  0.41784593  0.00000000  1.0
  B  B15  1  0.41784593  0.88569995  0.00000000  1.0
  B  B16  1  0.11167745  0.27446208  0.38615176  1.0
  B  B17  1  0.88831132  0.72552669  0.61384824  1.0
  B  B18  1  0.88831132  0.27446208  0.16278463  1.0
  B  B19  1  0.11167745  0.72552669  0.83721537  1.0
  B  B20  1  0.72552669  0.88831132  0.61384824  1.0
  B  B21  1  0.27446208  0.11167745  0.38615176  1.0
  B  B22  1  0.72552669  0.11167745  0.83721537  1.0
  B  B23  1  0.27446208  0.88831132  0.16278463  1.0