# generated using pymatgen
data_Ba10Cu5Hg5O21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.66748000
_cell_length_b   8.67736230
_cell_length_c   10.48068658
_cell_angle_alpha   99.50530534
_cell_angle_beta   109.29105829
_cell_angle_gamma   90.05706890
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba10Cu5Hg5O21
_chemical_formula_sum   'Ba10 Cu5 Hg5 O21'
_cell_volume   732.47989799
_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
  Ba  Ba0  1  0.38826500  0.44467100  0.72197300  1.0
  Ba  Ba1  1  0.58060800  0.04119400  0.70428900  1.0
  Ba  Ba2  1  0.98098300  0.24140400  0.70443600  1.0
  Ba  Ba3  1  0.18392000  0.84112600  0.70433700  1.0
  Ba  Ba4  1  0.78163200  0.63917100  0.70312300  1.0
  Ba  Ba5  1  0.21836800  0.36082900  0.29687700  1.0
  Ba  Ba6  1  0.41939200  0.95880600  0.29571100  1.0
  Ba  Ba7  1  0.81608000  0.15887400  0.29566300  1.0
  Ba  Ba8  1  0.01901700  0.75859600  0.29556400  1.0
  Ba  Ba9  1  0.61173500  0.55532900  0.27802700  1.0
  Cu  Cu10  1  0.40206800  0.69553800  0.50023000  1.0
  Cu  Cu11  1  0.59793200  0.30446200  0.49977000  1.0
  Cu  Cu12  1  0.00000000  0.50000000  0.50000000  1.0
  Cu  Cu13  1  0.20160400  0.10334800  0.50170900  1.0
  Cu  Cu14  1  0.79839600  0.89665200  0.49829100  1.0
  Hg  Hg15  1  0.21082000  0.59648800  0.99996600  1.0
  Hg  Hg16  1  0.40322200  0.21107700  0.00000700  1.0
  Hg  Hg17  1  0.78918000  0.40351200  0.00003400  1.0
  Hg  Hg18  1  0.00000000  0.00000000  0.00000000  1.0
  Hg  Hg19  1  0.59677800  0.78892300  0.99999300  1.0
  O  O20  1  0.51869000  0.76255700  0.79045000  1.0
  O  O21  1  0.72096400  0.35636800  0.79054900  1.0
  O  O22  1  0.11118400  0.56040600  0.79053300  1.0
  O  O23  1  0.31394700  0.15352300  0.79053400  1.0
  O  O24  1  0.91760700  0.95837900  0.79396900  1.0
  O  O25  1  0.27903600  0.64363200  0.20945100  1.0
  O  O26  1  0.48131000  0.23744300  0.20955000  1.0
  O  O27  1  0.88881600  0.43959400  0.20946700  1.0
  O  O28  1  0.08239300  0.04162100  0.20603100  1.0
  O  O29  1  0.68605300  0.84647700  0.20946600  1.0
  O  O30  1  0.19548700  0.60338700  0.49924000  1.0
  O  O31  1  0.40267600  0.19613300  0.49906600  1.0
  O  O32  1  0.80451300  0.39661300  0.50076000  1.0
  O  O33  1  0.00000000  0.00000000  0.50000000  1.0
  O  O34  1  0.59732400  0.80386700  0.50093400  1.0
  O  O35  1  0.50000000  0.50000000  0.50000000  1.0
  O  O36  1  0.70094400  0.09897600  0.50042600  1.0
  O  O37  1  0.09773200  0.29778600  0.49921200  1.0
  O  O38  1  0.29905600  0.90102400  0.49957400  1.0
  O  O39  1  0.90226800  0.70221400  0.50078800  1.0
  O  O40  1  0.50000000  0.50000000  0.00000000  1.0