# generated using pymatgen
data_Ba2Ca3Cu4HgO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89770900
_cell_length_b   3.89770900
_cell_length_c   19.40210000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Ca3Cu4HgO10
_chemical_formula_sum   'Ba2 Ca3 Cu4 Hg1 O10'
_cell_volume   294.75933119
_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  0.50000000  0.50000000  0.84938100  1.0
  Ba  Ba1  1  0.50000000  0.50000000  0.15061900  1.0
  Ca  Ca2  1  0.50000000  0.50000000  0.66806300  1.0
  Ca  Ca3  1  0.50000000  0.50000000  0.33193700  1.0
  Ca  Ca4  1  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu5  1  0.00000000  0.00000000  0.74765200  1.0
  Cu  Cu6  1  0.00000000  0.00000000  0.25234800  1.0
  Cu  Cu7  1  0.00000000  0.00000000  0.58492400  1.0
  Cu  Cu8  1  0.00000000  0.00000000  0.41507600  1.0
  Hg  Hg9  1  0.00000000  0.00000000  0.00000000  1.0
  O  O10  1  0.00000000  0.00000000  0.89661100  1.0
  O  O11  1  0.00000000  0.00000000  0.10338900  1.0
  O  O12  1  0.00000000  0.50000000  0.58411000  1.0
  O  O13  1  0.50000000  0.00000000  0.58411000  1.0
  O  O14  1  0.00000000  0.50000000  0.41589000  1.0
  O  O15  1  0.50000000  0.00000000  0.41589000  1.0
  O  O16  1  0.00000000  0.50000000  0.74999900  1.0
  O  O17  1  0.50000000  0.00000000  0.74999900  1.0
  O  O18  1  0.00000000  0.50000000  0.25000100  1.0
  O  O19  1  0.50000000  0.00000000  0.25000100  1.0