# generated using pymatgen
data_Yb3AsI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.67746745
_cell_length_b   10.67746759
_cell_length_c   10.67746746
_cell_angle_alpha   109.47122224
_cell_angle_beta   109.47122249
_cell_angle_gamma   109.47121593
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb3AsI3
_chemical_formula_sum   'Yb12 As4 I12'
_cell_volume   937.09342474
_cell_formula_units_Z   4
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
  Yb  Yb0  1  0.46970717  0.48485359  0.23485359  1.0
  Yb  Yb1  1  0.75000000  0.23485359  0.26514641  1.0
  Yb  Yb2  1  0.75000000  0.01514641  0.48485359  1.0
  Yb  Yb3  1  0.23485359  0.46970717  0.48485359  1.0
  Yb  Yb4  1  0.26514641  0.75000000  0.23485359  1.0
  Yb  Yb5  1  0.03029283  0.26514641  0.01514641  1.0
  Yb  Yb6  1  0.01514641  0.03029283  0.26514641  1.0
  Yb  Yb7  1  0.48485359  0.75000000  0.01514641  1.0
  Yb  Yb8  1  0.48485359  0.23485359  0.46970717  1.0
  Yb  Yb9  1  0.01514641  0.48485359  0.75000000  1.0
  Yb  Yb10  1  0.26514641  0.01514641  0.03029283  1.0
  Yb  Yb11  1  0.23485359  0.26514641  0.75000000  1.0
  As  As12  1  0.25000000  0.25000000  0.25000000  1.0
  As  As13  1  0.50000000  0.00000000  0.25000000  1.0
  As  As14  1  0.00000000  0.25000000  0.50000000  1.0
  As  As15  1  0.25000000  0.50000000  0.00000000  1.0
  I  I16  1  0.25000000  0.75249464  0.74750536  1.0
  I  I17  1  0.50498728  0.50249464  0.75249464  1.0
  I  I18  1  0.99501272  0.74750536  0.99750536  1.0
  I  I19  1  0.74750536  0.25000000  0.75249464  1.0
  I  I20  1  0.99750536  0.99501272  0.74750536  1.0
  I  I21  1  0.25000000  0.99750536  0.50249464  1.0
  I  I22  1  0.75249464  0.50498728  0.50249464  1.0
  I  I23  1  0.50249464  0.25000000  0.99750536  1.0
  I  I24  1  0.75249464  0.74750536  0.25000000  1.0
  I  I25  1  0.74750536  0.99750536  0.99501272  1.0
  I  I26  1  0.99750536  0.50249464  0.25000000  1.0
  I  I27  1  0.50249464  0.75249464  0.50498728  1.0