data_CaYIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91
_cell_length_b   5.91
_cell_length_c   3.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaYIn2
_chemical_formula_sum   'Ca1 Y1 In2'
_cell_volume   116.05
_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  0.0  0.0  0.0  1.0
  Y  Y3  1  0.5  0.0  0.0  1.0
  In  In1  1  0.75  0.38  0.74  1.0
  In  In2  1  0.75  0.62  0.74  1.0

data_CaYIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   5.91
_cell_length_c   5.91
_cell_angle_alpha   107.5
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaYIn2
_chemical_formula_sum   'Ca1 Y1 In2'
_cell_volume   116.05
_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  0.0  0.0  0.0  1.0
  Y  Y1  1  -0.0  0.5  0.0  1.0
  In  In2  1  0.74  0.75  0.38  1.0
  In  In3  1  0.74  0.75  0.62  1.0

Ca Y In In