# generated using pymatgen
data_CaYIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.90549414
_cell_length_b   12.90549414
_cell_length_c   12.90549414
_cell_angle_alpha   122.83787049
_cell_angle_beta   119.51531610
_cell_angle_gamma   87.99883143
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaYIn2
_chemical_formula_sum   'Ca1 Y1 In2'
_cell_volume   1490.22258974
_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  0.00000000  0.50000000  0.50000000  1.0
  In  In2  1  0.00000000  0.25485200  0.25485200  1.0
  In  In3  1  0.00000000  0.74514800  0.74514800  1.0