# generated using pymatgen
data_Ca(Th2B15)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.11172360
_cell_length_b   4.11172360
_cell_length_c   20.57439161
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(Th2B15)2
_chemical_formula_sum   'Ca1 Th4 B30'
_cell_volume   347.83623894
_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
  Ca  Ca0  1  0.00000000  0.00000000  0.00000000  1.0
  Th  Th1  1  0.00000000  0.00000000  0.20303507  1.0
  Th  Th2  1  0.00000000  0.00000000  0.40038559  1.0
  Th  Th3  1  0.00000000  0.00000000  0.59961441  1.0
  Th  Th4  1  0.00000000  0.00000000  0.79696493  1.0
  B  B5  1  0.50000000  0.50000000  0.16072574  1.0
  B  B6  1  0.50000000  0.50000000  0.36092468  1.0
  B  B7  1  0.50000000  0.50000000  0.56034827  1.0
  B  B8  1  0.50000000  0.50000000  0.76016327  1.0
  B  B9  1  0.50000000  0.50000000  0.95986284  1.0
  B  B10  1  0.50000000  0.19929252  0.10041509  1.0
  B  B11  1  0.50000000  0.19750767  0.30049791  1.0
  B  B12  1  0.50000000  0.19750258  0.50000000  1.0
  B  B13  1  0.50000000  0.19750767  0.69950209  1.0
  B  B14  1  0.50000000  0.19929252  0.89958491  1.0
  B  B15  1  0.19929252  0.50000000  0.10041509  1.0
  B  B16  1  0.19750767  0.50000000  0.30049791  1.0
  B  B17  1  0.19750258  0.50000000  0.50000000  1.0
  B  B18  1  0.19750767  0.50000000  0.69950209  1.0
  B  B19  1  0.19929252  0.50000000  0.89958491  1.0
  B  B20  1  0.50000000  0.50000000  0.04013716  1.0
  B  B21  1  0.50000000  0.50000000  0.23983673  1.0
  B  B22  1  0.50000000  0.50000000  0.43965173  1.0
  B  B23  1  0.50000000  0.50000000  0.63907532  1.0
  B  B24  1  0.50000000  0.50000000  0.83927426  1.0
  B  B25  1  0.50000000  0.80070748  0.10041509  1.0
  B  B26  1  0.50000000  0.80249233  0.30049791  1.0
  B  B27  1  0.50000000  0.80249742  0.50000000  1.0
  B  B28  1  0.50000000  0.80249233  0.69950209  1.0
  B  B29  1  0.50000000  0.80070748  0.89958491  1.0
  B  B30  1  0.80070748  0.50000000  0.10041509  1.0
  B  B31  1  0.80249233  0.50000000  0.30049791  1.0
  B  B32  1  0.80249742  0.50000000  0.50000000  1.0
  B  B33  1  0.80249233  0.50000000  0.69950209  1.0
  B  B34  1  0.80070748  0.50000000  0.89958491  1.0