# generated using pymatgen
data_BaCu(SiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.55840098
_cell_length_b   7.55840098
_cell_length_c   7.55840098
_cell_angle_alpha   123.23058122
_cell_angle_beta   123.23058122
_cell_angle_gamma   84.48999743
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCu(SiO3)2
_chemical_formula_sum   'Ba2 Cu2 Si4 O12'
_cell_volume   288.96349471
_cell_formula_units_Z   2
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  0.25000000  0.75000000  0.50000000  1.0
  Ba  Ba1  1  0.75000000  0.25000000  0.50000000  1.0
  Cu  Cu2  1  0.12106600  0.12106600  0.00000000  1.0
  Cu  Cu3  1  0.87893400  0.87893400  0.00000000  1.0
  Si  Si4  1  0.72607700  0.27392300  0.00000000  1.0
  Si  Si5  1  0.27392300  0.27392300  0.54784700  1.0
  Si  Si6  1  0.27392300  0.72607700  0.00000000  1.0
  Si  Si7  1  0.72607700  0.72607700  0.45215300  1.0
  O  O8  1  0.50000000  0.23529600  0.73529600  1.0
  O  O9  1  0.68248000  0.06748000  0.00000000  1.0
  O  O10  1  0.06748000  0.06748000  0.38500100  1.0
  O  O11  1  0.23529600  0.50000000  0.73529600  1.0
  O  O12  1  0.31752000  0.93252000  0.00000000  1.0
  O  O13  1  0.50000000  0.76470400  0.26470400  1.0
  O  O14  1  0.76470400  0.50000000  0.26470400  1.0
  O  O15  1  0.06748000  0.68248000  0.00000000  1.0
  O  O16  1  0.31752000  0.31752000  0.38500100  1.0
  O  O17  1  0.93252000  0.93252000  0.61499900  1.0
  O  O18  1  0.93252000  0.31752000  0.00000000  1.0
  O  O19  1  0.68248000  0.68248000  0.61499900  1.0