# generated using pymatgen
data_CaLa6GeI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.09937898
_cell_length_b   10.09937822
_cell_length_c   10.09937914
_cell_angle_alpha   107.10915295
_cell_angle_beta   107.10914153
_cell_angle_gamma   107.10914394
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaLa6GeI12
_chemical_formula_sum   'Ca1 La6 Ge1 I12'
_cell_volume   855.31910573
_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
  Ca  Ca0  1  0.50000000  0.50000000  0.50000000  1.0
  La  La1  1  0.31700308  0.10225320  0.02996993  1.0
  La  La2  1  0.02996993  0.31700308  0.10225320  1.0
  La  La3  1  0.10225320  0.02996893  0.31700308  1.0
  La  La4  1  0.89774680  0.97003107  0.68299792  1.0
  La  La5  1  0.97003007  0.68299792  0.89774780  1.0
  La  La6  1  0.68299792  0.89774680  0.97003107  1.0
  Ge  Ge7  1  0.00000000  0.00000000  0.00000000  1.0
  I  I8  1  0.68385044  0.23528245  0.07523436  1.0
  I  I9  1  0.38697948  0.46455912  0.15952061  1.0
  I  I10  1  0.07523436  0.68384944  0.23528345  1.0
  I  I11  1  0.76471755  0.92476664  0.31614956  1.0
  I  I12  1  0.46455912  0.15952061  0.38697948  1.0
  I  I13  1  0.15952061  0.38697948  0.46455912  1.0
  I  I14  1  0.84047939  0.61302152  0.53544088  1.0
  I  I15  1  0.53544088  0.84048039  0.61302052  1.0
  I  I16  1  0.23528345  0.07523436  0.68385044  1.0
  I  I17  1  0.92476564  0.31615056  0.76471755  1.0
  I  I18  1  0.61302152  0.53544088  0.84047939  1.0
  I  I19  1  0.31615056  0.76471755  0.92476564  1.0