# generated using pymatgen
data_Nb3TlCuCl9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.37858200
_cell_length_b   9.38646857
_cell_length_c   9.40366541
_cell_angle_alpha   119.46482337
_cell_angle_beta   105.21942018
_cell_angle_gamma   96.11559677
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3TlCuCl9
_chemical_formula_sum   'Nb6 Tl2 Cu2 Cl18'
_cell_volume   667.54802661
_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
  Nb  Nb0  1  0.14171900  0.18022500  0.02035300  1.0
  Nb  Nb1  1  0.85828100  0.81977500  0.97964700  1.0
  Nb  Nb2  1  0.86655100  0.05010900  0.10680000  1.0
  Nb  Nb3  1  0.13344900  0.94989100  0.89320000  1.0
  Nb  Nb4  1  0.13973700  0.82380700  0.24962900  1.0
  Nb  Nb5  1  0.86026300  0.17619300  0.75037100  1.0
  Tl  Tl6  1  0.66025600  0.71470600  0.51829600  1.0
  Tl  Tl7  1  0.33974400  0.28529400  0.48170400  1.0
  Cu  Cu8  1  0.62024400  0.36009400  0.19001900  1.0
  Cu  Cu9  1  0.37975600  0.63990600  0.80998100  1.0
  Cl  Cl10  1  0.33124700  0.00467800  0.32064200  1.0
  Cl  Cl11  1  0.66875300  0.99532200  0.67935800  1.0
  Cl  Cl12  1  0.33018900  0.59912000  0.57255200  1.0
  Cl  Cl13  1  0.66981100  0.40088000  0.42744800  1.0
  Cl  Cl14  1  0.32252700  0.73096700  0.17036600  1.0
  Cl  Cl15  1  0.67747300  0.26903300  0.82963400  1.0
  Cl  Cl16  1  0.00642700  0.84813800  0.41900900  1.0
  Cl  Cl17  1  0.99357300  0.15186200  0.58099100  1.0
  Cl  Cl18  1  0.01067200  0.27106400  0.15058300  1.0
  Cl  Cl19  1  0.98932800  0.72893600  0.84941700  1.0
  Cl  Cl20  1  0.33197600  0.40987700  0.05215100  1.0
  Cl  Cl21  1  0.66802400  0.59012300  0.94784900  1.0
  Cl  Cl22  1  0.69578600  0.10688900  0.24607100  1.0
  Cl  Cl23  1  0.30421400  0.89311100  0.75392900  1.0
  Cl  Cl24  1  0.32328700  0.15284700  0.89984900  1.0
  Cl  Cl25  1  0.67671300  0.84715300  0.10015100  1.0
  Cl  Cl26  1  0.00085000  0.42057900  0.73032500  1.0
  Cl  Cl27  1  0.99915000  0.57942100  0.26967500  1.0