# generated using pymatgen
data_Ba2UCu2S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.13269193
_cell_length_b   7.13269193
_cell_length_c   9.37361301
_cell_angle_alpha   65.25107989
_cell_angle_beta   65.25107989
_cell_angle_gamma   33.33727528
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2UCu2S5
_chemical_formula_sum   'Ba2 U1 Cu2 S5'
_cell_volume   235.73029679
_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  0.17673701  0.17673701  0.29954990  1.0
  Ba  Ba1  1  0.82326299  0.82326299  0.70045010  1.0
  U  U2  1  0.00000000  0.00000000  -0.00000000  1.0
  Cu  Cu3  1  0.55255983  0.55255983  0.70178629  1.0
  Cu  Cu4  1  0.44744017  0.44744017  0.29821371  1.0
  S  S5  1  0.38945354  0.38945354  0.93495724  1.0
  S  S6  1  0.14281057  0.14281057  0.69350665  1.0
  S  S7  1  0.61054646  0.61054646  0.06504276  1.0
  S  S8  1  0.50000000  0.50000000  0.50000000  1.0
  S  S9  1  0.85718943  0.85718943  0.30649335  1.0