# generated using pymatgen
data_CaThB8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.20455908
_cell_length_b   7.20455866
_cell_length_c   4.09606427
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   91.11474412
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaThB8
_chemical_formula_sum   'Ca2 Th2 B16'
_cell_volume   212.56871543
_cell_formula_units_Z   2
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
  Ca  Ca0  1  0.67990918  0.32009082  0.00000000  1.0
  Ca  Ca1  1  0.32009082  0.67990918  0.00000000  1.0
  Th  Th2  1  0.81467385  0.81467385  0.00000000  1.0
  Th  Th3  1  0.18532615  0.18532615  0.00000000  1.0
  B  B4  1  0.00000000  0.50000000  0.79614639  1.0
  B  B5  1  0.50000000  0.00000000  0.79614639  1.0
  B  B6  1  0.00000000  0.50000000  0.20385361  1.0
  B  B7  1  0.50000000  0.00000000  0.20385361  1.0
  B  B8  1  0.03914307  0.67441658  0.50000000  1.0
  B  B9  1  0.96085693  0.32558342  0.50000000  1.0
  B  B10  1  0.46289636  0.17547935  0.50000000  1.0
  B  B11  1  0.53710364  0.82452065  0.50000000  1.0
  B  B12  1  0.17547935  0.46289636  0.50000000  1.0
  B  B13  1  0.82452065  0.53710364  0.50000000  1.0
  B  B14  1  0.67441658  0.03914307  0.50000000  1.0
  B  B15  1  0.32558342  0.96085693  0.50000000  1.0
  B  B16  1  0.58914269  0.58914269  0.50000000  1.0
  B  B17  1  0.41085731  0.41085731  0.50000000  1.0
  B  B18  1  0.91312659  0.08687341  0.50000000  1.0
  B  B19  1  0.08687341  0.91312659  0.50000000  1.0