# generated using pymatgen
data_Ba3GeI2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.55282765
_cell_length_b   15.79045049
_cell_length_c   8.74193737
_cell_angle_alpha   79.21037123
_cell_angle_beta   69.54798237
_cell_angle_gamma   31.23581861
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3GeI2
_chemical_formula_sum   'Ba12 Ge4 I8'
_cell_volume   1080.52804346
_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
  Ba  Ba0  1  0.04137306  0.45863376  0.45862845  1.0
  Ba  Ba1  1  0.79138647  0.20861378  0.20863560  1.0
  Ba  Ba2  1  0.09371947  0.58822912  0.94391411  1.0
  Ba  Ba3  1  0.87584858  0.30614058  0.66182622  1.0
  Ba  Ba4  1  0.58819445  0.09380965  0.37417110  1.0
  Ba  Ba5  1  0.15630090  0.66176315  0.30606213  1.0
  Ba  Ba6  1  0.30603778  0.87591537  0.15628901  1.0
  Ba  Ba7  1  0.37416421  0.94383662  0.58815613  1.0
  Ba  Ba8  1  0.20861390  0.79138219  0.79138231  1.0
  Ba  Ba9  1  0.45862517  0.04137506  0.04135261  1.0
  Ba  Ba10  1  0.94394622  0.37409757  0.09372660  1.0
  Ba  Ba11  1  0.66179407  0.15621576  0.87583564  1.0
  Ge  Ge12  1  0.33416455  0.33417117  0.16585207  1.0
  Ge  Ge13  1  0.16585427  0.16582078  0.33411932  1.0
  Ge  Ge14  1  0.08414024  0.08417463  0.91588504  1.0
  Ge  Ge15  1  0.91583967  0.91583803  0.08414210  1.0
  I  I16  1  0.57723843  0.57737482  0.42266426  1.0
  I  I17  1  0.67276829  0.67255034  0.82730191  1.0
  I  I18  1  0.25415465  0.25362938  0.74568802  1.0
  I  I19  1  0.42273617  0.42264757  0.57732687  1.0
  I  I20  1  0.99583877  0.99636594  0.50431162  1.0
  I  I21  1  0.74583316  0.74640278  0.25438282  1.0
  I  I22  1  0.82724828  0.82742966  0.67271191  1.0
  I  I23  1  0.50417926  0.50358227  0.99563317  1.0