data_YPd2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   5.45
_cell_angle_alpha   139.2
_cell_angle_beta   133.28
_cell_angle_gamma   63.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YPd2Se
_chemical_formula_sum   'Y1 Pd2 Se1'
_cell_volume   76.02
_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  0.63  1.0
  Pd  Pd0  1  0.0  0.16  0.41  1.0
  Pd  Pd1  1  0.9  0.0  0.22  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0

data_YPd2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.8
_cell_length_b   4.32
_cell_length_c   5.45
_cell_angle_alpha   113.36
_cell_angle_beta   110.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YPd2Se
_chemical_formula_sum   'Y1 Pd2 Se1'
_cell_volume   76.02
_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  Y0  1  0.0  0.63  0.63  1.0
  Pd  Pd1  1  0.0  0.22  0.32  1.0
  Pd  Pd2  1  0.84  0.25  0.25  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Y Pd Pd Se