# generated using pymatgen
data_CaY
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95331487
_cell_length_b   3.53709765
_cell_length_c   6.17620716
_cell_angle_alpha   89.84337583
_cell_angle_beta   90.28026936
_cell_angle_gamma   123.97533624
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaY
_chemical_formula_sum   'Ca1 Y1'
_cell_volume   71.61852418
_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
  Ca  Ca0  1  0.00000000  0.00000000  0.00000000  1.0
  Y  Y1  1  0.50000000  0.00000000  0.50000000  1.0