# generated using pymatgen
data_Ca2YCuO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.96034834
_cell_length_b   8.96034834
_cell_length_c   8.96034834
_cell_angle_alpha   145.63324137
_cell_angle_beta   143.24996289
_cell_angle_gamma   51.19332782
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2YCuO5
_chemical_formula_sum   'Ca4 Y2 Cu2 O10'
_cell_volume   241.69266198
_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
  Ca  Ca0  1  0.43396700  0.90364900  0.53032700  1.0
  Ca  Ca1  1  0.12667800  0.59636100  0.53032700  1.0
  Ca  Ca2  1  0.56603300  0.09636100  0.46968300  1.0
  Ca  Ca3  1  0.87332200  0.40364900  0.46968300  1.0
  Y  Y4  1  0.79397800  0.78153800  0.07551600  1.0
  Y  Y5  1  0.20602200  0.28153800  0.98756000  1.0
  Cu  Cu6  1  0.50000000  0.48165200  0.98165200  1.0
  Cu  Cu7  1  0.00000000  0.98165200  0.98165200  1.0
  O  O8  1  0.82646600  0.20087100  0.52733700  1.0
  O  O9  1  0.17353400  0.70087100  0.37440600  1.0
  O  O10  1  0.44634000  0.32362300  0.02572500  1.0
  O  O11  1  0.55366000  0.57938500  0.87728300  1.0
  O  O12  1  0.79789800  0.82362300  0.87728300  1.0
  O  O13  1  0.20210200  0.07938500  0.02572500  1.0
  O  O14  1  0.77354400  0.25397100  0.99216500  1.0
  O  O15  1  0.22645600  0.21862200  0.48042800  1.0
  O  O16  1  0.23819400  0.71862200  0.99216500  1.0
  O  O17  1  0.76180600  0.75397100  0.48042800  1.0