# generated using pymatgen
data_Nd7RuI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.98075977
_cell_length_b   9.98075886
_cell_length_c   9.98075970
_cell_angle_alpha   106.81123005
_cell_angle_beta   106.81123560
_cell_angle_gamma   106.81123291
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd7RuI12
_chemical_formula_sum   'Nd7 Ru1 I12'
_cell_volume   832.23861239
_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
  Nd  Nd0  1  0.90430947  0.70008071  0.97871482  1.0
  Nd  Nd1  1  0.97871482  0.90430947  0.70008071  1.0
  Nd  Nd2  1  0.70008071  0.97871482  0.90430947  1.0
  Nd  Nd3  1  0.09569053  0.29991929  0.02128518  1.0
  Nd  Nd4  1  0.02128518  0.09569053  0.29991929  1.0
  Nd  Nd5  1  0.29991929  0.02128518  0.09569053  1.0
  Nd  Nd6  1  0.50000000  0.50000000  0.50000000  1.0
  Ru  Ru7  1  0.00000000  0.00000000  0.00000000  1.0
  I  I8  1  0.61531139  0.84141657  0.53509444  1.0
  I  I9  1  0.53509444  0.61531139  0.84141657  1.0
  I  I10  1  0.84141657  0.53509444  0.61531139  1.0
  I  I11  1  0.38468861  0.15858343  0.46490556  1.0
  I  I12  1  0.46490556  0.38468861  0.15858343  1.0
  I  I13  1  0.15858343  0.46490556  0.38468861  1.0
  I  I14  1  0.67830433  0.07422852  0.22954278  1.0
  I  I15  1  0.22954278  0.67830433  0.07422852  1.0
  I  I16  1  0.07422852  0.22954278  0.67830433  1.0
  I  I17  1  0.32169567  0.92577148  0.77045722  1.0
  I  I18  1  0.77045722  0.32169567  0.92577148  1.0
  I  I19  1  0.92577148  0.77045722  0.32169567  1.0