# generated using pymatgen
data_Ca2YNiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.11921488
_cell_length_b   9.11921488
_cell_length_c   9.11921488
_cell_angle_alpha   147.31710500
_cell_angle_beta   144.45587711
_cell_angle_gamma   49.05455602
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2YNiO5
_chemical_formula_sum   'Ca4 Y2 Ni2 O10'
_cell_volume   237.00276699
_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  0.37710300  0.91134900  0.48187900  1.0
  Ca  Ca1  1  0.07053000  0.60477600  0.48187900  1.0
  Ca  Ca2  1  0.62289700  0.10477600  0.53424600  1.0
  Ca  Ca3  1  0.92947000  0.41134900  0.53424600  1.0
  Y  Y4  1  0.71227200  0.73208800  0.94436000  1.0
  Y  Y5  1  0.28772800  0.23208800  0.01981700  1.0
  Ni  Ni6  1  0.50000000  0.51555700  0.01555700  1.0
  Ni  Ni7  1  0.00000000  0.01555700  0.01555700  1.0
  O  O8  1  0.68093400  0.28380300  0.46473700  1.0
  O  O9  1  0.31906600  0.78380300  0.60286900  1.0
  O  O10  1  0.31064500  0.39875200  0.96220100  1.0
  O  O11  1  0.68935500  0.65155600  0.08810700  1.0
  O  O12  1  0.93655100  0.89875200  0.08810700  1.0
  O  O13  1  0.06344900  0.15155600  0.96220100  1.0
  O  O14  1  0.26310600  0.77895500  0.01114000  1.0
  O  O15  1  0.73689400  0.74803400  0.51584900  1.0
  O  O16  1  0.73218500  0.24803400  0.01114000  1.0
  O  O17  1  0.26781500  0.27895500  0.51584900  1.0