# generated using pymatgen
data_Ba6CaEu2Cu6(HgO7)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45618583
_cell_length_b   8.62736253
_cell_length_c   13.39713519
_cell_angle_alpha   97.36267045
_cell_angle_beta   78.25053798
_cell_angle_gamma   71.56588683
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba6CaEu2Cu6(HgO7)3
_chemical_formula_sum   'Ba6 Ca1 Eu2 Cu6 Hg3 O21'
_cell_volume   573.01817579
_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  0.30157100  0.59945500  0.79740400  1.0
  Ba  Ba1  1  0.96870700  0.26535300  0.79723500  1.0
  Ba  Ba2  1  0.63659100  0.93179900  0.79501700  1.0
  Ba  Ba3  1  0.69796000  0.40131400  0.20276500  1.0
  Ba  Ba4  1  0.36509600  0.06721200  0.20259600  1.0
  Ba  Ba5  1  0.03007500  0.73486700  0.20498300  1.0
  Ca  Ca6  1  0.83333300  0.83333300  0.50000000  1.0
  Eu  Eu7  1  0.16786200  0.16429100  0.49998600  1.0
  Eu  Eu8  1  0.49880500  0.50237600  0.50001400  1.0
  Cu  Cu9  1  0.24473300  0.87762200  0.63291200  1.0
  Cu  Cu10  1  0.91073600  0.54607800  0.63245100  1.0
  Cu  Cu11  1  0.57914500  0.20924500  0.63246600  1.0
  Cu  Cu12  1  0.42193300  0.78904400  0.36708800  1.0
  Cu  Cu13  1  0.08752200  0.45742200  0.36753400  1.0
  Cu  Cu14  1  0.75593100  0.12058900  0.36754900  1.0
  Hg  Hg15  1  0.66648400  0.66673000  0.00030200  1.0
  Hg  Hg16  1  0.33333300  0.33333300  0.00000000  1.0
  Hg  Hg17  1  0.00018300  0.99993700  0.99969800  1.0
  O  O18  1  0.10874500  0.94540100  0.83710900  1.0
  O  O19  1  0.77567800  0.61243100  0.83621500  1.0
  O  O20  1  0.44224600  0.27895200  0.83655600  1.0
  O  O21  1  0.55792200  0.72126600  0.16289100  1.0
  O  O22  1  0.22442000  0.38771400  0.16344400  1.0
  O  O23  1  0.89098900  0.05423600  0.16378500  1.0
  O  O24  1  0.08980000  0.70526300  0.61880300  1.0
  O  O25  1  0.75509800  0.37262000  0.61747500  1.0
  O  O26  1  0.41866400  0.04075200  0.61882100  1.0
  O  O27  1  0.58613500  0.70526300  0.61880300  1.0
  O  O28  1  0.25480800  0.37262000  0.61747500  1.0
  O  O29  1  0.92176200  0.04075200  0.61882100  1.0
  O  O30  1  0.24800200  0.62591400  0.38117900  1.0
  O  O31  1  0.91156900  0.29404700  0.38252500  1.0
  O  O32  1  0.57686700  0.96140400  0.38119700  1.0
  O  O33  1  0.74490400  0.62591400  0.38117900  1.0
  O  O34  1  0.41185900  0.29404700  0.38252500  1.0
  O  O35  1  0.08053200  0.96140400  0.38119700  1.0
  O  O36  1  0.83333300  0.33333300  0.00000000  1.0
  O  O37  1  0.49961500  0.00157200  0.99919800  1.0
  O  O38  1  0.16705200  0.66509500  0.00080200  1.0