# generated using pymatgen
data_KCa(SmB12)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.17167639
_cell_length_b   7.17167716
_cell_length_c   5.85342868
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.46294367
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCa(SmB12)2
_chemical_formula_sum   'K1 Ca1 Sm2 B24'
_cell_volume   283.85572759
_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
  K  K0  1  0.75080995  0.24919005  0.50000000  1.0
  Ca  Ca1  1  0.99618773  0.00381227  0.00000000  1.0
  Sm  Sm2  1  0.50324314  0.49675686  0.00000000  1.0
  Sm  Sm3  1  0.24951195  0.75048805  0.50000000  1.0
  B  B4  1  0.17664529  0.32608999  0.64920757  1.0
  B  B5  1  0.92676201  0.57589005  0.14961878  1.0
  B  B6  1  0.67391001  0.82335471  0.64920757  1.0
  B  B7  1  0.42410995  0.07323799  0.14961878  1.0
  B  B8  1  0.17664529  0.32608999  0.35079243  1.0
  B  B9  1  0.92676201  0.57589005  0.85038122  1.0
  B  B10  1  0.67391001  0.82335471  0.35079243  1.0
  B  B11  1  0.42410995  0.07323799  0.85038122  1.0
  B  B12  1  0.40108421  0.39805393  0.50000000  1.0
  B  B13  1  0.14961560  0.65086705  0.00000000  1.0
  B  B14  1  0.89794333  0.90036306  0.50000000  1.0
  B  B15  1  0.64876729  0.14798161  0.00000000  1.0
  B  B16  1  0.32416239  0.17467045  0.64928916  1.0
  B  B17  1  0.07642758  0.42729606  0.14953615  1.0
  B  B18  1  0.82532955  0.67583761  0.64928916  1.0
  B  B19  1  0.57270394  0.92357242  0.14953615  1.0
  B  B20  1  0.09963694  0.10205667  0.50000000  1.0
  B  B21  1  0.85201839  0.35123271  0.00000000  1.0
  B  B22  1  0.60194607  0.59891579  0.50000000  1.0
  B  B23  1  0.34913295  0.85038440  0.00000000  1.0
  B  B24  1  0.32416239  0.17467045  0.35071084  1.0
  B  B25  1  0.07642758  0.42729606  0.85046385  1.0
  B  B26  1  0.82532955  0.67583761  0.35071084  1.0
  B  B27  1  0.57270394  0.92357242  0.85046385  1.0