# generated using pymatgen
data_ThCrB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62059675
_cell_length_b   6.06143296
_cell_length_c   11.74221103
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThCrB4
_chemical_formula_sum   'Th4 Cr4 B16'
_cell_volume   257.69461581
_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  0.50000000  0.12400414  0.84927292  1.0
  Th  Th1  1  0.50000000  0.87599586  0.15072708  1.0
  Th  Th2  1  0.50000000  0.62400414  0.65072708  1.0
  Th  Th3  1  0.50000000  0.37599586  0.34927292  1.0
  Cr  Cr4  1  0.50000000  0.12913208  0.58608064  1.0
  Cr  Cr5  1  0.50000000  0.87086792  0.41391936  1.0
  Cr  Cr6  1  0.50000000  0.62913208  0.91391936  1.0
  Cr  Cr7  1  0.50000000  0.37086792  0.08608064  1.0
  B  B8  1  -0.00000000  0.27734149  0.68277907  1.0
  B  B9  1  -0.00000000  0.72265851  0.31722093  1.0
  B  B10  1  -0.00000000  0.77734149  0.81722093  1.0
  B  B11  1  -0.00000000  0.22265851  0.18277907  1.0
  B  B12  1  -0.00000000  0.38956114  0.95550603  1.0
  B  B13  1  -0.00000000  0.61043886  0.04449397  1.0
  B  B14  1  -0.00000000  0.88956114  0.54449397  1.0
  B  B15  1  -0.00000000  0.11043886  0.45550603  1.0
  B  B16  1  -0.00000000  0.14280562  0.03304453  1.0
  B  B17  1  0.00000000  0.85719438  0.96695547  1.0
  B  B18  1  -0.00000000  0.64280562  0.46695547  1.0
  B  B19  1  -0.00000000  0.35719438  0.53304453  1.0
  B  B20  1  -0.00000000  0.02518687  0.31278710  1.0
  B  B21  1  -0.00000000  0.97481313  0.68721290  1.0
  B  B22  1  -0.00000000  0.52518687  0.18721290  1.0
  B  B23  1  -0.00000000  0.47481313  0.81278710  1.0