# generated using pymatgen
data_ThB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.12674507
_cell_length_b   7.25655925
_cell_length_c   7.25655925
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThB4
_chemical_formula_sum   'Th4 B16'
_cell_volume   217.30470640
_cell_formula_units_Z   4
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
  Th  Th0  1  -0.00000000  0.31562348  0.81562348  1.0
  Th  Th1  1  -0.00000000  0.18437652  0.31562348  1.0
  Th  Th2  1  -0.00000000  0.81562348  0.68437652  1.0
  Th  Th3  1  -0.00000000  0.68437652  0.18437652  1.0
  B  B4  1  0.20115995  0.00000000  0.00000000  1.0
  B  B5  1  0.79884005  0.50000000  0.50000000  1.0
  B  B6  1  0.79884005  0.00000000  0.00000000  1.0
  B  B7  1  0.20115995  0.50000000  0.50000000  1.0
  B  B8  1  0.50000000  0.08986702  0.58986702  1.0
  B  B9  1  0.50000000  0.41013298  0.08986702  1.0
  B  B10  1  0.50000000  0.58986702  0.91013298  1.0
  B  B11  1  0.50000000  0.91013298  0.41013298  1.0
  B  B12  1  0.50000000  0.17467621  0.03880365  1.0
  B  B13  1  0.50000000  0.96119635  0.17467621  1.0
  B  B14  1  0.50000000  0.03880365  0.82532379  1.0
  B  B15  1  0.50000000  0.82532379  0.96119635  1.0
  B  B16  1  0.50000000  0.67467621  0.46119635  1.0
  B  B17  1  0.50000000  0.32532379  0.53880365  1.0
  B  B18  1  0.50000000  0.53880365  0.67467621  1.0
  B  B19  1  0.50000000  0.46119635  0.32532379  1.0