data_CaYIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.75
_cell_length_b   5.43
_cell_length_c   5.44
_cell_angle_alpha   90.0
_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   110.76
_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  0.78  1.0
  Y  Y3  1  0.0  0.71  0.31  1.0
  In  In1  1  0.87  0.71  0.56  1.0
  In  In2  1  0.87  0.0  0.51  1.0

data_CaYIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   5.43
_cell_length_c   5.44
_cell_angle_alpha   90.0
_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   110.76
_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  0.78  1.0
  Y  Y1  1  0.0  0.71  0.31  1.0
  In  In2  1  0.87  0.0  0.51  1.0
  In  In3  1  0.87  0.71  0.56  1.0

Ca Y In In