# generated using pymatgen
data_CaPrB12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13524732
_cell_length_b   4.13524732
_cell_length_c   8.28083853
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPrB12
_chemical_formula_sum   'Ca1 Pr1 B12'
_cell_volume   141.60457803
_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
  Pr  Pr1  1  0.00000000  0.00000000  0.50000000  1.0
  B  B2  1  0.20073445  0.50000000  0.24946197  1.0
  B  B3  1  0.20073445  0.50000000  0.75053803  1.0
  B  B4  1  0.50000000  0.50000000  0.39952915  1.0
  B  B5  1  0.50000000  0.50000000  0.89972215  1.0
  B  B6  1  0.50000000  0.20073445  0.24946197  1.0
  B  B7  1  0.50000000  0.20073445  0.75053803  1.0
  B  B8  1  0.50000000  0.50000000  0.10027785  1.0
  B  B9  1  0.50000000  0.50000000  0.60047185  1.0
  B  B10  1  0.50000000  0.79926555  0.24946197  1.0
  B  B11  1  0.50000000  0.79926555  0.75053803  1.0
  B  B12  1  0.79926555  0.50000000  0.24946197  1.0
  B  B13  1  0.79926555  0.50000000  0.75053803  1.0