# generated using pymatgen
data_Er5Tm3(SiI6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17254140
_cell_length_b   13.88485392
_cell_length_c   14.47325024
_cell_angle_alpha   89.94375680
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er5Tm3(SiI6)2
_chemical_formula_sum   'Er5 Tm3 Si2 I12'
_cell_volume   838.50919830
_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
  Er  Er0  1  0.50000000  0.11899350  0.35101684  1.0
  Er  Er1  1  0.50000000  0.88086914  0.64862755  1.0
  Er  Er2  1  0.50000000  0.61901602  0.14879399  1.0
  Er  Er3  1  0.50000000  0.38130100  0.85128543  1.0
  Er  Er4  1  0.00000000  0.10531017  0.57798255  1.0
  Tm  Tm5  1  0.00000000  0.89470136  0.42198981  1.0
  Tm  Tm6  1  0.00000000  0.60530672  0.92233981  1.0
  Tm  Tm7  1  0.00000000  0.39507291  0.07773733  1.0
  Si  Si8  1  0.50000000  0.99969628  0.49963930  1.0
  Si  Si9  1  0.50000000  0.50016486  0.00004436  1.0
  I  I10  1  0.50000000  0.25860884  0.17251629  1.0
  I  I11  1  0.50000000  0.74142146  0.82753017  1.0
  I  I12  1  0.50000000  0.75856268  0.32747520  1.0
  I  I13  1  0.50000000  0.24169467  0.67331856  1.0
  I  I14  1  0.00000000  0.26041796  0.42352616  1.0
  I  I15  1  0.00000000  0.73968921  0.57594143  1.0
  I  I16  1  0.00000000  0.76028749  0.07600258  1.0
  I  I17  1  0.00000000  0.23999881  0.92417504  1.0
  I  I18  1  0.00000000  0.00887195  0.23803154  1.0
  I  I19  1  0.00000000  0.98982005  0.76208356  1.0
  I  I20  1  0.00000000  0.50886679  0.26165216  1.0
  I  I21  1  0.00000000  0.49132715  0.73829135  1.0