# generated using pymatgen
data_Y2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56389997
_cell_length_b   6.56389997
_cell_length_c   5.51005000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   130.33724979
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2CuO4
_chemical_formula_sum   'Y4 Cu2 O8'
_cell_volume   180.95706915
_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
  Y  Y0  1  0.65421900  0.34578100  0.00000000  1.0
  Y  Y1  1  0.34578100  0.65421900  0.00000000  1.0
  Y  Y2  1  0.84578100  0.15421900  0.50000000  1.0
  Y  Y3  1  0.15421900  0.84578100  0.50000000  1.0
  Cu  Cu4  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu5  1  0.50000000  0.50000000  0.50000000  1.0
  O  O6  1  0.70472700  0.70472700  0.20530200  1.0
  O  O7  1  0.50839600  0.00839600  0.25000000  1.0
  O  O8  1  0.00839600  0.50839600  0.25000000  1.0
  O  O9  1  0.20472700  0.20472700  0.29469800  1.0
  O  O10  1  0.79527300  0.79527300  0.70530200  1.0
  O  O11  1  0.99160400  0.49160400  0.75000000  1.0
  O  O12  1  0.49160400  0.99160400  0.75000000  1.0
  O  O13  1  0.29527300  0.29527300  0.79469800  1.0