# generated using pymatgen
data_TiNb3Cl7O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.80830422
_cell_length_b   9.80830422
_cell_length_c   12.75043918
_cell_angle_alpha   86.25212133
_cell_angle_beta   86.25212133
_cell_angle_gamma   98.29681861
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNb3Cl7O2
_chemical_formula_sum   'Ti4 Nb12 Cl28 O8'
_cell_volume   1207.71422729
_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
  Ti  Ti0  1  0.88973100  0.11026900  0.75000000  1.0
  Ti  Ti1  1  0.00000000  0.00000000  0.50000000  1.0
  Ti  Ti2  1  0.11026900  0.88973100  0.25000000  1.0
  Ti  Ti3  1  0.00000000  0.00000000  0.00000000  1.0
  Nb  Nb4  1  0.55345000  0.17395300  0.89190600  1.0
  Nb  Nb5  1  0.90467600  0.36517500  0.39245800  1.0
  Nb  Nb6  1  0.66514000  0.92581700  0.93900100  1.0
  Nb  Nb7  1  0.17395300  0.55345000  0.39190600  1.0
  Nb  Nb8  1  0.92581700  0.66514000  0.43900100  1.0
  Nb  Nb9  1  0.07418300  0.33486000  0.56099900  1.0
  Nb  Nb10  1  0.44655000  0.82604700  0.10809400  1.0
  Nb  Nb11  1  0.09532400  0.63482500  0.60754200  1.0
  Nb  Nb12  1  0.82604700  0.44655000  0.60809400  1.0
  Nb  Nb13  1  0.36517500  0.90467600  0.89245800  1.0
  Nb  Nb14  1  0.33486000  0.07418300  0.06099900  1.0
  Nb  Nb15  1  0.63482500  0.09532400  0.10754200  1.0
  Cl  Cl16  1  0.68296100  0.29589300  0.49687600  1.0
  Cl  Cl17  1  0.38468000  0.61532000  0.25000000  1.0
  Cl  Cl18  1  0.58136500  0.91281000  0.25083400  1.0
  Cl  Cl19  1  0.36091600  0.29754700  0.95227900  1.0
  Cl  Cl20  1  0.87663200  0.90604200  0.35139300  1.0
  Cl  Cl21  1  0.70245300  0.63908400  0.54772100  1.0
  Cl  Cl22  1  0.45016600  0.20846800  0.19734000  1.0
  Cl  Cl23  1  0.61532000  0.38468000  0.75000000  1.0
  Cl  Cl24  1  0.79153200  0.54983400  0.30266000  1.0
  Cl  Cl25  1  0.01780700  0.21540700  0.88894000  1.0
  Cl  Cl26  1  0.63908400  0.70245300  0.04772100  1.0
  Cl  Cl27  1  0.20846800  0.45016600  0.69734000  1.0
  Cl  Cl28  1  0.79201100  0.20798900  0.25000000  1.0
  Cl  Cl29  1  0.78459300  0.98219300  0.61106000  1.0
  Cl  Cl30  1  0.70410700  0.31703900  0.00312400  1.0
  Cl  Cl31  1  0.90604200  0.87663200  0.85139300  1.0
  Cl  Cl32  1  0.98219300  0.78459300  0.11106000  1.0
  Cl  Cl33  1  0.29589300  0.68296100  0.99687600  1.0
  Cl  Cl34  1  0.08719000  0.41863500  0.24916600  1.0
  Cl  Cl35  1  0.41863500  0.08719000  0.74916600  1.0
  Cl  Cl36  1  0.91281000  0.58136500  0.75083400  1.0
  Cl  Cl37  1  0.09395800  0.12336800  0.14860700  1.0
  Cl  Cl38  1  0.54983400  0.79153200  0.80266000  1.0
  Cl  Cl39  1  0.12336800  0.09395800  0.64860700  1.0
  Cl  Cl40  1  0.29754700  0.36091600  0.45227900  1.0
  Cl  Cl41  1  0.21540700  0.01780700  0.38894000  1.0
  Cl  Cl42  1  0.31703900  0.70410700  0.50312400  1.0
  Cl  Cl43  1  0.20798900  0.79201100  0.75000000  1.0
  O  O44  1  0.19726100  0.98210400  0.95842300  1.0
  O  O45  1  0.98210400  0.19726100  0.45842300  1.0
  O  O46  1  0.09752900  0.72144000  0.32965200  1.0
  O  O47  1  0.27856000  0.90247100  0.17034800  1.0
  O  O48  1  0.72144000  0.09752900  0.82965200  1.0
  O  O49  1  0.01789600  0.80273900  0.54157700  1.0
  O  O50  1  0.90247100  0.27856000  0.67034800  1.0
  O  O51  1  0.80273900  0.01789600  0.04157700  1.0