# generated using pymatgen
data_Sm7CuI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.79280256
_cell_length_b   9.79280224
_cell_length_c   9.79280222
_cell_angle_alpha   107.56920638
_cell_angle_beta   107.56921085
_cell_angle_gamma   107.56919828
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm7CuI12
_chemical_formula_sum   'Sm7 Cu1 I12'
_cell_volume   769.64102020
_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
  Sm  Sm0  1  0.96382578  0.89242761  0.68962040  1.0
  Sm  Sm1  1  0.03617422  0.10757239  0.31037960  1.0
  Sm  Sm2  1  0.10757239  0.31037960  0.03617422  1.0
  Sm  Sm3  1  0.31037960  0.03617422  0.10757239  1.0
  Sm  Sm4  1  0.50000000  0.50000000  0.50000000  1.0
  Sm  Sm5  1  0.89242761  0.68962040  0.96382578  1.0
  Sm  Sm6  1  0.68962040  0.96382578  0.89242761  1.0
  Cu  Cu7  1  0.00000000  0.00000000  0.00000000  1.0
  I  I8  1  0.52324276  0.60637709  0.84559901  1.0
  I  I9  1  0.47675724  0.39362291  0.15440099  1.0
  I  I10  1  0.31636724  0.92396105  0.77209800  1.0
  I  I11  1  0.39362291  0.15440099  0.47675724  1.0
  I  I12  1  0.92396105  0.77209800  0.31636724  1.0
  I  I13  1  0.68363276  0.07603895  0.22790200  1.0
  I  I14  1  0.07603895  0.22790200  0.68363276  1.0
  I  I15  1  0.77209800  0.31636724  0.92396105  1.0
  I  I16  1  0.22790200  0.68363276  0.07603895  1.0
  I  I17  1  0.84559901  0.52324276  0.60637709  1.0
  I  I18  1  0.15440099  0.47675724  0.39362291  1.0
  I  I19  1  0.60637709  0.84559901  0.52324276  1.0