# generated using pymatgen
data_CsTi2Cl7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26237460
_cell_length_b   7.06376504
_cell_length_c   12.03645318
_cell_angle_alpha   92.35710255
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsTi2Cl7
_chemical_formula_sum   'Cs2 Ti4 Cl14'
_cell_volume   531.99335450
_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
  Cs  Cs0  1  0.37160118  0.50000000  0.25000000  1.0
  Cs  Cs1  1  0.62839882  0.50000000  0.75000000  1.0
  Ti  Ti2  1  0.75690402  0.93001905  0.06922612  1.0
  Ti  Ti3  1  0.75690402  0.06998095  0.43077388  1.0
  Ti  Ti4  1  0.24309698  0.06998095  0.93077388  1.0
  Ti  Ti5  1  0.24309698  0.93001905  0.56922612  1.0
  Cl  Cl6  1  0.87129416  0.64309638  0.12309627  1.0
  Cl  Cl7  1  0.87129416  0.35690362  0.37690373  1.0
  Cl  Cl8  1  0.12870584  0.35690362  0.87690373  1.0
  Cl  Cl9  1  0.12870584  0.64309638  0.62309627  1.0
  Cl  Cl10  1  0.42022090  0.00000000  0.75000000  1.0
  Cl  Cl11  1  0.57977910  0.00000000  0.25000000  1.0
  Cl  Cl12  1  0.07186315  0.88650406  0.38504629  1.0
  Cl  Cl13  1  0.07186315  0.11349594  0.11495371  1.0
  Cl  Cl14  1  0.92813685  0.11349594  0.61495371  1.0
  Cl  Cl15  1  0.92813685  0.88650406  0.88504629  1.0
  Cl  Cl16  1  0.58143817  0.78148295  0.49695372  1.0
  Cl  Cl17  1  0.58143817  0.21851705  0.00304628  1.0
  Cl  Cl18  1  0.41856183  0.21851705  0.50304628  1.0
  Cl  Cl19  1  0.41856183  0.78148295  0.99695372  1.0