# generated using pymatgen
data_Ca3Pb3I14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.50978100
_cell_length_b   17.03386800
_cell_length_c   24.30752068
_cell_angle_alpha   76.08895642
_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   1812.51276164
_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  0.25000000  0.94382500  0.81305700  1.0
  Ca  Ca1  1  0.75000000  0.70444200  0.54197000  1.0
  Ca  Ca2  1  0.75000000  0.40098400  0.86647100  1.0
  Ca  Ca3  1  0.25000000  0.59901600  0.13352900  1.0
  Ca  Ca4  1  0.25000000  0.29555800  0.45803000  1.0
  Ca  Ca5  1  0.75000000  0.05617500  0.18694300  1.0
  Pb  Pb6  1  0.75000000  0.75657100  0.97845600  1.0
  Pb  Pb7  1  0.25000000  0.87447400  0.36411500  1.0
  Pb  Pb8  1  0.25000000  0.53415700  0.70730100  1.0
  Pb  Pb9  1  0.75000000  0.46584300  0.29269900  1.0
  Pb  Pb10  1  0.75000000  0.12552600  0.63588500  1.0
  Pb  Pb11  1  0.25000000  0.24342900  0.02154400  1.0
  I  I12  1  0.25000000  0.89208400  0.96376100  1.0
  I  I13  1  0.75000000  0.94577200  0.70855200  1.0
  I  I14  1  0.75000000  0.79553900  0.84239500  1.0
  I  I15  1  0.75000000  0.90434500  0.44963600  1.0
  I  I16  1  0.25000000  0.81180400  0.57748000  1.0
  I  I17  1  0.25000000  0.95276600  0.14843100  1.0
  I  I18  1  0.75000000  0.84467000  0.27948800  1.0
  I  I19  1  0.75000000  0.67042800  0.68770700  1.0
  I  I20  1  0.25000000  0.53497900  0.84146500  1.0
  I  I21  1  0.25000000  0.69622300  0.43977200  1.0
  I  I22  1  0.75000000  0.73223700  0.11533900  1.0
  I  I23  1  0.25000000  0.55418800  0.57420200  1.0
  I  I24  1  0.75000000  0.38950700  0.99787000  1.0
  I  I25  1  0.25000000  0.60814800  0.26295100  1.0
  I  I26  1  0.75000000  0.39185200  0.73704900  1.0
  I  I27  1  0.25000000  0.61049300  0.00213000  1.0
  I  I28  1  0.75000000  0.44581200  0.42579800  1.0
  I  I29  1  0.25000000  0.26776300  0.88466100  1.0
  I  I30  1  0.75000000  0.30377700  0.56022800  1.0
  I  I31  1  0.75000000  0.46502100  0.15853500  1.0
  I  I32  1  0.25000000  0.32957200  0.31229300  1.0
  I  I33  1  0.25000000  0.15533000  0.72051200  1.0
  I  I34  1  0.75000000  0.04723400  0.85156900  1.0
  I  I35  1  0.75000000  0.18819600  0.42252000  1.0
  I  I36  1  0.25000000  0.09565500  0.55036400  1.0
  I  I37  1  0.25000000  0.20446100  0.15760500  1.0
  I  I38  1  0.25000000  0.05422800  0.29144800  1.0
  I  I39  1  0.75000000  0.10791600  0.03623900  1.0