# generated using pymatgen
data_Ba6Ca3Cu6Hg3O19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.66252098
_cell_length_b   8.66252098
_cell_length_c   14.01385615
_cell_angle_alpha   68.17298568
_cell_angle_beta   68.17298568
_cell_angle_gamma   36.71030862
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba6Ca3Cu6Hg3O19
_chemical_formula_sum   'Ba6 Ca3 Cu6 Hg3 O19'
_cell_volume   578.36821087
_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  0.56920500  0.56920500  0.79240700  1.0
  Ba  Ba1  1  0.90661100  0.90661100  0.78069200  1.0
  Ba  Ba2  1  0.23961300  0.23961300  0.78045000  1.0
  Ba  Ba3  1  0.76038700  0.76038700  0.21955000  1.0
  Ba  Ba4  1  0.09338900  0.09338900  0.21930800  1.0
  Ba  Ba5  1  0.43079500  0.43079500  0.20759300  1.0
  Ca  Ca6  1  0.66614300  0.66614300  0.50165900  1.0
  Ca  Ca7  1  0.00000000  0.00000000  0.50000000  1.0
  Ca  Ca8  1  0.33385700  0.33385700  0.49834100  1.0
  Cu  Cu9  1  0.79202700  0.79202700  0.62246700  1.0
  Cu  Cu10  1  0.12548100  0.12548100  0.62368800  1.0
  Cu  Cu11  1  0.45962900  0.45962900  0.62246100  1.0
  Cu  Cu12  1  0.87451900  0.87451900  0.37631200  1.0
  Cu  Cu13  1  0.20797300  0.20797300  0.37753300  1.0
  Cu  Cu14  1  0.54037100  0.54037100  0.37753900  1.0
  Hg  Hg15  1  0.00000000  0.00000000  0.00000000  1.0
  Hg  Hg16  1  0.33819300  0.33819300  0.00001100  1.0
  Hg  Hg17  1  0.66180700  0.66180700  0.99998900  1.0
  O  O18  1  0.96237300  0.45861600  0.62106600  1.0
  O  O19  1  0.29061200  0.79399000  0.62100200  1.0
  O  O20  1  0.62565600  0.12599400  0.62227300  1.0
  O  O21  1  0.45861600  0.96237300  0.62106600  1.0
  O  O22  1  0.79399000  0.29061200  0.62100200  1.0
  O  O23  1  0.12599400  0.62565600  0.62227300  1.0
  O  O24  1  0.03762700  0.54138400  0.37893400  1.0
  O  O25  1  0.37434400  0.87400600  0.37772700  1.0
  O  O26  1  0.70938800  0.20601000  0.37899800  1.0
  O  O27  1  0.54138400  0.03762700  0.37893400  1.0
  O  O28  1  0.87400600  0.37434400  0.37772700  1.0
  O  O29  1  0.20601000  0.70938800  0.37899800  1.0
  O  O30  1  0.72317900  0.72317900  0.84159100  1.0
  O  O31  1  0.05324700  0.05324700  0.84031500  1.0
  O  O32  1  0.38244400  0.38244400  0.84162300  1.0
  O  O33  1  0.94675300  0.94675300  0.15968500  1.0
  O  O34  1  0.27682100  0.27682100  0.15840900  1.0
  O  O35  1  0.61755600  0.61755600  0.15837700  1.0
  O  O36  1  0.50000000  0.50000000  0.00000000  1.0