# generated using pymatgen
data_Nd7FeI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.92958325
_cell_length_b   9.92958367
_cell_length_c   9.92958441
_cell_angle_alpha   107.50017506
_cell_angle_beta   107.50017240
_cell_angle_gamma   107.50017042
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd7FeI12
_chemical_formula_sum   'Nd7 Fe1 I12'
_cell_volume   803.95615882
_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  0.53439602  0.60536617  0.80488046  1.0
  Nd  Nd1  1  0.80488046  0.53439602  0.60536617  1.0
  Nd  Nd2  1  0.60536617  0.80488046  0.53439602  1.0
  Nd  Nd3  1  0.47157298  0.40032323  0.19886532  1.0
  Nd  Nd4  1  0.19886532  0.47157298  0.40032323  1.0
  Nd  Nd5  1  0.40032323  0.19886532  0.47157298  1.0
  Nd  Nd6  1  0.97529950  0.97529950  0.97529950  1.0
  Fe  Fe7  1  0.50152402  0.50152402  0.50152402  1.0
  I  I8  1  0.27371388  0.81680442  0.42385331  1.0
  I  I9  1  0.42385331  0.27371388  0.81680442  1.0
  I  I10  1  0.81680442  0.42385331  0.27371388  1.0
  I  I11  1  0.72966577  0.18492781  0.57449670  1.0
  I  I12  1  0.57449670  0.72966577  0.18492781  1.0
  I  I13  1  0.18492781  0.57449670  0.72966577  1.0
  I  I14  1  0.02818219  0.10685700  0.33334388  1.0
  I  I15  1  0.33334388  0.02818219  0.10685700  1.0
  I  I16  1  0.10685700  0.33334388  0.02818219  1.0
  I  I17  1  0.97667349  0.88989209  0.64473179  1.0
  I  I18  1  0.64473179  0.97667349  0.88989209  1.0
  I  I19  1  0.88989209  0.64473179  0.97667349  1.0