# generated using pymatgen
data_Ba2UCu2Se5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.39118942
_cell_length_b   7.39118942
_cell_length_c   9.76871010
_cell_angle_alpha   65.21943003
_cell_angle_beta   65.21943003
_cell_angle_gamma   33.36623586
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2UCu2Se5
_chemical_formula_sum   'Ba2 U1 Cu2 Se5'
_cell_volume   263.91868541
_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  0.17449900  0.17449900  0.29947300  1.0
  Ba  Ba1  1  0.82550100  0.82550100  0.70052700  1.0
  U  U2  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu3  1  0.55288400  0.55288400  0.70885000  1.0
  Cu  Cu4  1  0.44711600  0.44711600  0.29115000  1.0
  Se  Se5  1  0.14763200  0.14763200  0.69161900  1.0
  Se  Se6  1  0.85236800  0.85236800  0.30838100  1.0
  Se  Se7  1  0.38469300  0.38469300  0.93860000  1.0
  Se  Se8  1  0.61530700  0.61530700  0.06140000  1.0
  Se  Se9  1  0.50000000  0.50000000  0.50000000  1.0