# generated using pymatgen
data_Ba2Cu4Te4Cl4O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.38941910
_cell_length_b   9.40654181
_cell_length_c   12.38219641
_cell_angle_alpha   110.91210585
_cell_angle_beta   98.36329113
_cell_angle_gamma   108.20505961
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Cu4Te4Cl4O11
_chemical_formula_sum   'Ba4 Cu8 Te8 Cl8 O22'
_cell_volume   928.86715249
_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
  Ba  Ba0  1  0.52140800  0.78402000  0.55823100  1.0
  Ba  Ba1  1  0.98122000  0.71975200  0.44880300  1.0
  Ba  Ba2  1  0.47859200  0.21598000  0.44176900  1.0
  Ba  Ba3  1  0.01878000  0.28024800  0.55119700  1.0
  Cu  Cu4  1  0.69057700  0.55429900  0.01736900  1.0
  Cu  Cu5  1  0.30942300  0.44570100  0.98263100  1.0
  Cu  Cu6  1  0.31406400  0.10059200  0.67070200  1.0
  Cu  Cu7  1  0.76722900  0.90553200  0.98497100  1.0
  Cu  Cu8  1  0.23277100  0.09446800  0.01502900  1.0
  Cu  Cu9  1  0.18759500  0.40064100  0.32939800  1.0
  Cu  Cu10  1  0.81240500  0.59935900  0.67060200  1.0
  Cu  Cu11  1  0.68593600  0.89940800  0.32929800  1.0
  Te  Te12  1  0.78176100  0.22142100  0.24121300  1.0
  Te  Te13  1  0.72858700  0.25480500  0.73884800  1.0
  Te  Te14  1  0.27141300  0.74519500  0.26115200  1.0
  Te  Te15  1  0.21823900  0.77857900  0.75878700  1.0
  Te  Te16  1  0.97436700  0.02475100  0.75791300  1.0
  Te  Te17  1  0.02563300  0.97524900  0.24208700  1.0
  Te  Te18  1  0.44850100  0.52353100  0.73638500  1.0
  Te  Te19  1  0.55149900  0.47646900  0.26361500  1.0
  Cl  Cl20  1  0.83762300  0.68555300  0.91849200  1.0
  Cl  Cl21  1  0.16237700  0.31444700  0.08150800  1.0
  Cl  Cl22  1  0.37170400  0.03929900  0.14155500  1.0
  Cl  Cl23  1  0.12939900  0.46286300  0.84752800  1.0
  Cl  Cl24  1  0.62829600  0.96070100  0.85844500  1.0
  Cl  Cl25  1  0.87060100  0.53713700  0.15247200  1.0
  Cl  Cl26  1  0.53072500  0.69935800  0.08262700  1.0
  Cl  Cl27  1  0.46927500  0.30064200  0.91737300  1.0
  O  O28  1  0.87275200  0.04966100  0.16187000  1.0
  O  O29  1  0.08750500  0.05471500  0.64643700  1.0
  O  O30  1  0.22865300  0.63557600  0.36247400  1.0
  O  O31  1  0.80618100  0.09257000  0.65503700  1.0
  O  O32  1  0.19381900  0.90743000  0.34496300  1.0
  O  O33  1  0.32922600  0.29508200  0.63446700  1.0
  O  O34  1  0.91249500  0.94528500  0.35356300  1.0
  O  O35  1  0.77134700  0.36442400  0.63752600  1.0
  O  O36  1  0.97887900  0.38148200  0.35290800  1.0
  O  O37  1  0.16574000  0.19573900  0.34987100  1.0
  O  O38  1  0.30829300  0.58987500  0.65459200  1.0
  O  O39  1  0.41680400  0.45208700  0.36225100  1.0
  O  O40  1  0.12724800  0.95033900  0.83813000  1.0
  O  O41  1  0.58319600  0.54791300  0.63774900  1.0
  O  O42  1  0.02112100  0.61851800  0.64709200  1.0
  O  O43  1  0.83426000  0.80426100  0.65012900  1.0
  O  O44  1  0.69170700  0.41012500  0.34540800  1.0
  O  O45  1  0.72285500  0.12867600  0.34992800  1.0
  O  O46  1  0.48012000  0.88493700  0.35973600  1.0
  O  O47  1  0.67077400  0.70491800  0.36553300  1.0
  O  O48  1  0.51988000  0.11506300  0.64026400  1.0
  O  O49  1  0.27714500  0.87132400  0.65007200  1.0