# generated using pymatgen
data_Ca3Pb3I14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45540800
_cell_length_b   17.06702100
_cell_length_c   24.50842147
_cell_angle_alpha   75.86856688
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Pb3I14
_chemical_formula_sum   'Ca6 Pb6 I28'
_cell_volume   1807.23677731
_cell_formula_units_Z   2
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  0.75000000  0.76074800  0.98003300  1.0
  Ca  Ca1  1  0.25000000  0.87673100  0.36435000  1.0
  Ca  Ca2  1  0.25000000  0.53615200  0.70966200  1.0
  Ca  Ca3  1  0.75000000  0.46384800  0.29033800  1.0
  Ca  Ca4  1  0.75000000  0.12326900  0.63565000  1.0
  Ca  Ca5  1  0.25000000  0.23925200  0.01996700  1.0
  Pb  Pb6  1  0.25000000  0.94036600  0.80166100  1.0
  Pb  Pb7  1  0.75000000  0.69147300  0.53690100  1.0
  Pb  Pb8  1  0.75000000  0.39896600  0.86635900  1.0
  Pb  Pb9  1  0.25000000  0.60103400  0.13364100  1.0
  Pb  Pb10  1  0.25000000  0.30852700  0.46309900  1.0
  Pb  Pb11  1  0.75000000  0.05963400  0.19833900  1.0
  I  I12  1  0.25000000  0.89256200  0.97467900  1.0
  I  I13  1  0.75000000  0.94045700  0.69969700  1.0
  I  I14  1  0.75000000  0.78972200  0.84939700  1.0
  I  I15  1  0.75000000  0.91982400  0.44492900  1.0
  I  I16  1  0.25000000  0.80901700  0.57594900  1.0
  I  I17  1  0.25000000  0.96023900  0.14436200  1.0
  I  I18  1  0.75000000  0.84390200  0.28170700  1.0
  I  I19  1  0.75000000  0.67038000  0.69350700  1.0
  I  I20  1  0.25000000  0.54298500  0.83829800  1.0
  I  I21  1  0.25000000  0.69734600  0.43362400  1.0
  I  I22  1  0.75000000  0.74372800  0.11251700  1.0
  I  I23  1  0.25000000  0.54417100  0.58165400  1.0
  I  I24  1  0.75000000  0.37669000  0.00242800  1.0
  I  I25  1  0.25000000  0.59935500  0.26705000  1.0
  I  I26  1  0.75000000  0.40064500  0.73295000  1.0
  I  I27  1  0.25000000  0.62331000  0.99757200  1.0
  I  I28  1  0.75000000  0.45582900  0.41834600  1.0
  I  I29  1  0.25000000  0.25627200  0.88748300  1.0
  I  I30  1  0.75000000  0.30265400  0.56637600  1.0
  I  I31  1  0.75000000  0.45701500  0.16170200  1.0
  I  I32  1  0.25000000  0.32962000  0.30649300  1.0
  I  I33  1  0.25000000  0.15609800  0.71829300  1.0
  I  I34  1  0.75000000  0.03976100  0.85563800  1.0
  I  I35  1  0.75000000  0.19098300  0.42405100  1.0
  I  I36  1  0.25000000  0.08017600  0.55507100  1.0
  I  I37  1  0.25000000  0.21027800  0.15060300  1.0
  I  I38  1  0.25000000  0.05954300  0.30030300  1.0
  I  I39  1  0.75000000  0.10743800  0.02532100  1.0