data_YIn2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.03
_cell_angle_alpha   91.52
_cell_angle_beta   91.52
_cell_angle_gamma   92.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YIn2Pd
_chemical_formula_sum   'Y1 In2 Pd1'
_cell_volume   87.5
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  In  In0  1  0.54  0.68  0.01  1.0
  In  In1  1  0.54  0.32  0.01  1.0
  Pd  Pd2  1  0.23  0.0  0.0  1.0

data_YIn2Pd
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.03
_cell_length_b   4.66
_cell_length_c   4.66
_cell_angle_alpha   90.0
_cell_angle_beta   91.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   YIn2Pd
_chemical_formula_sum   'Y1 In2 Pd1'
_cell_volume   87.6
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Y  Y0  1  0.0  0.0  0.0  1.0
  In  In1  2  0.01  0.32  0.54  1.0
  Pd  Pd2  1  0.0  0.0  0.23  1.0

Y In In Pd
Y In In Pd 0 3 o o o 1 2 o o o 2 3 o o o 