# generated using pymatgen
data_Ca2PrB18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13563554
_cell_length_b   4.13563554
_cell_length_c   12.42218149
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2PrB18
_chemical_formula_sum   'Ca2 Pr1 B18'
_cell_volume   212.46254930
_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  0.33515905  1.0
  Ca  Ca1  1  0.00000000  0.00000000  0.66484095  1.0
  Pr  Pr2  1  0.00000000  0.00000000  0.00000000  1.0
  B  B3  1  0.20092244  0.50000000  0.16705880  1.0
  B  B4  1  0.20156524  0.50000000  0.50000000  1.0
  B  B5  1  0.20092244  0.50000000  0.83294120  1.0
  B  B6  1  0.50000000  0.50000000  0.26653527  1.0
  B  B7  1  0.50000000  0.50000000  0.59938677  1.0
  B  B8  1  0.50000000  0.50000000  0.93307757  1.0
  B  B9  1  0.50000000  0.20092244  0.16705880  1.0
  B  B10  1  0.50000000  0.20156524  0.50000000  1.0
  B  B11  1  0.50000000  0.20092244  0.83294120  1.0
  B  B12  1  0.50000000  0.50000000  0.06692243  1.0
  B  B13  1  0.50000000  0.50000000  0.40061323  1.0
  B  B14  1  0.50000000  0.50000000  0.73346473  1.0
  B  B15  1  0.50000000  0.79907756  0.16705880  1.0
  B  B16  1  0.50000000  0.79843476  0.50000000  1.0
  B  B17  1  0.50000000  0.79907756  0.83294120  1.0
  B  B18  1  0.79907756  0.50000000  0.16705880  1.0
  B  B19  1  0.79843476  0.50000000  0.50000000  1.0
  B  B20  1  0.79907756  0.50000000  0.83294120  1.0