# generated using pymatgen
data_BaLiYCu2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.00949408
_cell_length_b   4.01040142
_cell_length_c   7.88977949
_cell_angle_alpha   90.13664502
_cell_angle_beta   90.14349321
_cell_angle_gamma   87.76329585
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLiYCu2O5
_chemical_formula_sum   'Ba1 Li1 Y1 Cu2 O5'
_cell_volume   126.76774992
_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  0.03098300  0.03100700  0.96580500  1.0
  Li  Li1  1  0.34597600  0.34591900  0.46474900  1.0
  Y  Y2  1  0.92919300  0.92912200  0.46560600  1.0
  Cu  Cu3  1  0.52033200  0.52040900  0.71618500  1.0
  Cu  Cu4  1  0.52018400  0.52016800  0.21472600  1.0
  O  O5  1  0.00974800  0.48845100  0.64337300  1.0
  O  O6  1  0.48845500  0.00974800  0.64339600  1.0
  O  O7  1  0.00995500  0.48814100  0.28767200  1.0
  O  O8  1  0.48798600  0.00987300  0.28771000  1.0
  O  O9  1  0.50718300  0.50715700  0.96536300  1.0