# generated using pymatgen
data_Ba2GdCu2(HgO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.98975920
_cell_length_b   14.98975920
_cell_length_c   14.98975920
_cell_angle_alpha   165.01240006
_cell_angle_beta   165.01240006
_cell_angle_gamma   21.25699156
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2GdCu2(HgO4)2
_chemical_formula_sum   'Ba2 Gd1 Cu2 Hg2 O8'
_cell_volume   225.22134290
_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  0.12703200  0.12703200  0.00000000  1.0
  Ba  Ba1  1  0.87296800  0.87296800  0.00000000  1.0
  Gd  Gd2  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu3  1  0.44351500  0.44351500  0.00000000  1.0
  Cu  Cu4  1  0.55648500  0.55648500  0.00000000  1.0
  Hg  Hg5  1  0.28837400  0.28837400  0.00000000  1.0
  Hg  Hg6  1  0.71162600  0.71162600  0.00000000  1.0
  O  O7  1  0.54995100  0.04995100  0.50000000  1.0
  O  O8  1  0.45004900  0.95004900  0.50000000  1.0
  O  O9  1  0.04995100  0.54995100  0.50000000  1.0
  O  O10  1  0.95004900  0.45004900  0.50000000  1.0
  O  O11  1  0.21788800  0.21788800  0.00000000  1.0
  O  O12  1  0.78211200  0.78211200  0.00000000  1.0
  O  O13  1  0.35998400  0.35998400  0.00000000  1.0
  O  O14  1  0.64001600  0.64001600  0.00000000  1.0