# generated using pymatgen
data_Nd3Sm4CI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.72574889
_cell_length_b   9.72574871
_cell_length_c   9.72574836
_cell_angle_alpha   107.70688757
_cell_angle_beta   107.70688192
_cell_angle_gamma   107.70688265
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3Sm4CI12
_chemical_formula_sum   'Nd3 Sm4 C1 I12'
_cell_volume   750.88837340
_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  0.10583439  0.04035184  0.29571028  1.0
  Nd  Nd1  1  0.29571028  0.10583439  0.04035184  1.0
  Nd  Nd2  1  0.04035184  0.29571028  0.10583439  1.0
  Sm  Sm3  1  0.71059129  0.90805038  0.97635219  1.0
  Sm  Sm4  1  0.97635219  0.71059129  0.90805038  1.0
  Sm  Sm5  1  0.90805038  0.97635219  0.71059129  1.0
  Sm  Sm6  1  0.46899637  0.46899637  0.46899637  1.0
  C  C7  1  0.98786813  0.98786813  0.98786813  1.0
  I  I8  1  0.77302439  0.92167495  0.31538082  1.0
  I  I9  1  0.39438509  0.47878958  0.14344317  1.0
  I  I10  1  0.47878958  0.14344317  0.39438509  1.0
  I  I11  1  0.14344317  0.39438509  0.47878958  1.0
  I  I12  1  0.31538082  0.77302439  0.92167495  1.0
  I  I13  1  0.92167495  0.31538082  0.77302439  1.0
  I  I14  1  0.61341463  0.53664440  0.83976680  1.0
  I  I15  1  0.83976680  0.61341463  0.53664440  1.0
  I  I16  1  0.53664440  0.83976680  0.61341463  1.0
  I  I17  1  0.68703438  0.23135585  0.07688008  1.0
  I  I18  1  0.07688008  0.68703438  0.23135585  1.0
  I  I19  1  0.23135585  0.07688008  0.68703438  1.0