# generated using pymatgen
data_Ti3Cu3(TeO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97420291
_cell_length_b   5.97420291
_cell_length_c   9.30170470
_cell_angle_alpha   88.70763065
_cell_angle_beta   88.70763065
_cell_angle_gamma   60.36586467
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Cu3(TeO8)2
_chemical_formula_sum   'Ti3 Cu3 Te2 O16'
_cell_volume   288.46596150
_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
  Ti  Ti0  1  0.16449700  0.66226900  0.21070400  1.0
  Ti  Ti1  1  0.66226900  0.16449700  0.21070400  1.0
  Ti  Ti2  1  0.83895200  0.83895200  0.70695800  1.0
  Cu  Cu3  1  0.16999500  0.16999500  0.20389300  1.0
  Cu  Cu4  1  0.34123800  0.83281100  0.70954200  1.0
  Cu  Cu5  1  0.83281100  0.34123800  0.70954200  1.0
  Te  Te6  1  0.32990800  0.32990800  0.48918500  1.0
  Te  Te7  1  0.66175400  0.66175400  0.98328100  1.0
  O  O8  1  0.16972700  0.64774200  0.59981800  1.0
  O  O9  1  0.47751000  0.47751000  0.34412000  1.0
  O  O10  1  0.34112600  0.34112600  0.10585900  1.0
  O  O11  1  0.99792900  0.99792900  0.29533200  1.0
  O  O12  1  0.99837100  0.99837100  0.80103600  1.0
  O  O13  1  0.64774200  0.16972700  0.59981800  1.0
  O  O14  1  0.04526400  0.49320200  0.35055700  1.0
  O  O15  1  0.49320200  0.04526400  0.35055700  1.0
  O  O16  1  0.82000400  0.82000400  0.10399600  1.0
  O  O17  1  0.16767600  0.16767600  0.59553400  1.0
  O  O18  1  0.52929800  0.95854100  0.84810900  1.0
  O  O19  1  0.95854100  0.52929800  0.84810900  1.0
  O  O20  1  0.67070600  0.67070600  0.60920200  1.0
  O  O21  1  0.34967700  0.81221200  0.09820600  1.0
  O  O22  1  0.51960300  0.51960300  0.84343600  1.0
  O  O23  1  0.81221200  0.34967700  0.09820600  1.0