# generated using pymatgen
data_KSm6PtI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.88949076
_cell_length_b   9.88949230
_cell_length_c   9.88949310
_cell_angle_alpha   105.65267815
_cell_angle_beta   105.65267615
_cell_angle_gamma   105.65267654
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSm6PtI12
_chemical_formula_sum   'K1 Sm6 Pt1 I12'
_cell_volume   833.33916983
_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  0.50000000  0.50000000  0.50000000  1.0
  Sm  Sm1  1  0.09850475  0.02050924  0.30432366  1.0
  Sm  Sm2  1  0.30432366  0.09850475  0.02050924  1.0
  Sm  Sm3  1  0.02050924  0.30432366  0.09850475  1.0
  Sm  Sm4  1  0.90149525  0.97949076  0.69567634  1.0
  Sm  Sm5  1  0.69567634  0.90149525  0.97949076  1.0
  Sm  Sm6  1  0.97949076  0.69567634  0.90149525  1.0
  Pt  Pt7  1  0.00000000  0.00000000  0.00000000  1.0
  I  I8  1  0.07723531  0.67494097  0.22525314  1.0
  I  I9  1  0.22525314  0.07723531  0.67494097  1.0
  I  I10  1  0.67494097  0.22525314  0.07723531  1.0
  I  I11  1  0.92276469  0.32505903  0.77474686  1.0
  I  I12  1  0.77474686  0.92276469  0.32505903  1.0
  I  I13  1  0.32505903  0.77474686  0.92276469  1.0
  I  I14  1  0.44103313  0.11921960  0.35538846  1.0
  I  I15  1  0.35538846  0.44103313  0.11921960  1.0
  I  I16  1  0.11921960  0.35538846  0.44103313  1.0
  I  I17  1  0.55896687  0.88078040  0.64461154  1.0
  I  I18  1  0.64461154  0.55896687  0.88078040  1.0
  I  I19  1  0.88078040  0.64461154  0.55896687  1.0