# generated using pymatgen
data_NaSm6ZnI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.82772747
_cell_length_b   9.82772603
_cell_length_c   9.82772659
_cell_angle_alpha   106.87086340
_cell_angle_beta   106.87086828
_cell_angle_gamma   106.87086196
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSm6ZnI12
_chemical_formula_sum   'Na1 Sm6 Zn1 I12'
_cell_volume   793.27375893
_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  0.50000000  0.50000000  0.50000000  1.0
  Sm  Sm1  1  0.31750703  0.10539327  0.03100975  1.0
  Sm  Sm2  1  0.03100975  0.31750703  0.10539327  1.0
  Sm  Sm3  1  0.10539327  0.03100975  0.31750703  1.0
  Sm  Sm4  1  0.89460573  0.96899025  0.68249297  1.0
  Sm  Sm5  1  0.96899025  0.68249297  0.89460573  1.0
  Sm  Sm6  1  0.68249297  0.89460673  0.96898925  1.0
  Zn  Zn7  1  0.00000000  0.00000000  0.00000000  1.0
  I  I8  1  0.68163140  0.22924623  0.07430580  1.0
  I  I9  1  0.37631296  0.45747975  0.14527596  1.0
  I  I10  1  0.07430580  0.68163140  0.22924623  1.0
  I  I11  1  0.77075277  0.92569420  0.31836860  1.0
  I  I12  1  0.45747975  0.14527696  0.37631196  1.0
  I  I13  1  0.14527696  0.37631196  0.45747975  1.0
  I  I14  1  0.85472404  0.62368804  0.54252125  1.0
  I  I15  1  0.54252025  0.85472404  0.62368804  1.0
  I  I16  1  0.22924623  0.07430580  0.68163140  1.0
  I  I17  1  0.92569420  0.31836860  0.77075277  1.0
  I  I18  1  0.62368804  0.54252125  0.85472404  1.0
  I  I19  1  0.31836860  0.77075277  0.92569420  1.0