# generated using pymatgen
data_NaCa(SmB12)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.13909758
_cell_length_b   7.13909807
_cell_length_c   5.84306055
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.39644243
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCa(SmB12)2
_chemical_formula_sum   'Na1 Ca1 Sm2 B24'
_cell_volume   280.89937538
_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
  Na  Na0  1  0.75094674  0.24905326  0.50000000  1.0
  Ca  Ca1  1  0.99576869  0.00423131  0.00000000  1.0
  Sm  Sm2  1  0.50334958  0.49665042  0.00000000  1.0
  Sm  Sm3  1  0.24952190  0.75047810  0.50000000  1.0
  B  B4  1  0.17569127  0.32553234  0.64918331  1.0
  B  B5  1  0.92581510  0.57526928  0.14957957  1.0
  B  B6  1  0.67446766  0.82430873  0.64918331  1.0
  B  B7  1  0.42473072  0.07418490  0.14957957  1.0
  B  B8  1  0.17569127  0.32553234  0.35081669  1.0
  B  B9  1  0.92581510  0.57526928  0.85042043  1.0
  B  B10  1  0.67446766  0.82430873  0.35081669  1.0
  B  B11  1  0.42473072  0.07418490  0.85042043  1.0
  B  B12  1  0.40081047  0.39861610  0.50000000  1.0
  B  B13  1  0.14945312  0.65036641  0.00000000  1.0
  B  B14  1  0.89842200  0.90019987  0.50000000  1.0
  B  B15  1  0.64940873  0.14874382  0.00000000  1.0
  B  B16  1  0.32502944  0.17513788  0.64929380  1.0
  B  B17  1  0.07563886  0.42611269  0.14950945  1.0
  B  B18  1  0.82486212  0.67497056  0.64929380  1.0
  B  B19  1  0.57388731  0.92436114  0.14950945  1.0
  B  B20  1  0.09980013  0.10157800  0.50000000  1.0
  B  B21  1  0.85125618  0.35059127  0.00000000  1.0
  B  B22  1  0.60138390  0.59918953  0.50000000  1.0
  B  B23  1  0.34963359  0.85054688  0.00000000  1.0
  B  B24  1  0.32502944  0.17513788  0.35070620  1.0
  B  B25  1  0.07563886  0.42611269  0.85049055  1.0
  B  B26  1  0.82486212  0.67497056  0.35070620  1.0
  B  B27  1  0.57388731  0.92436114  0.85049055  1.0