# generated using pymatgen
data_Ca3PrB24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.16323618
_cell_length_b   7.16323574
_cell_length_c   5.84995753
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.45229956
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3PrB24
_chemical_formula_sum   'Ca3 Pr1 B24'
_cell_volume   283.03858629
_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  0.74853253  0.25146747  0.50000000  1.0
  Ca  Ca1  1  0.50000000  0.50000000  0.00000000  1.0
  Ca  Ca2  1  0.25146747  0.74853253  0.50000000  1.0
  Pr  Pr3  1  0.00000000  0.00000000  0.00000000  1.0
  B  B4  1  0.17519994  0.32502821  0.64900987  1.0
  B  B5  1  0.92538958  0.57446772  0.14977905  1.0
  B  B6  1  0.67497179  0.82480006  0.64900987  1.0
  B  B7  1  0.42553228  0.07461042  0.14977905  1.0
  B  B8  1  0.17519994  0.32502821  0.35099013  1.0
  B  B9  1  0.92538958  0.57446772  0.85022095  1.0
  B  B10  1  0.67497179  0.82480006  0.35099013  1.0
  B  B11  1  0.42553228  0.07461042  0.85022095  1.0
  B  B12  1  0.39952243  0.39952243  0.50000000  1.0
  B  B13  1  0.14974146  0.64914952  0.00000000  1.0
  B  B14  1  0.89936568  0.89936568  0.50000000  1.0
  B  B15  1  0.64914952  0.14974146  0.00000000  1.0
  B  B16  1  0.32502821  0.17519994  0.64900987  1.0
  B  B17  1  0.07461042  0.42553228  0.14977905  1.0
  B  B18  1  0.82480006  0.67497179  0.64900987  1.0
  B  B19  1  0.57446772  0.92538958  0.14977905  1.0
  B  B20  1  0.10063432  0.10063432  0.50000000  1.0
  B  B21  1  0.85025854  0.35085048  0.00000000  1.0
  B  B22  1  0.60047757  0.60047757  0.50000000  1.0
  B  B23  1  0.35085048  0.85025854  0.00000000  1.0
  B  B24  1  0.32502821  0.17519994  0.35099013  1.0
  B  B25  1  0.07461042  0.42553228  0.85022095  1.0
  B  B26  1  0.82480006  0.67497179  0.35099013  1.0
  B  B27  1  0.57446772  0.92538958  0.85022095  1.0