data_YTePd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   5.36
_cell_angle_alpha   133.93
_cell_angle_beta   131.17
_cell_angle_gamma   69.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTePd2
_chemical_formula_sum   'Y1 Te1 Pd2'
_cell_volume   81.96
_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
  Te  Te2  1  0.0  0.0  0.41  1.0
  Pd  Pd0  1  0.0  0.22  0.15  1.0
  Pd  Pd1  1  0.1  0.0  0.26  1.0

data_YTePd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.2
_cell_length_b   4.43
_cell_length_c   5.36
_cell_angle_alpha   114.42
_cell_angle_beta   113.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTePd2
_chemical_formula_sum   'Y1 Te1 Pd2'
_cell_volume   81.96
_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  0.0  0.0  1.0
  Te  Te1  1  0.0  0.41  0.41  1.0
  Pd  Pd2  1  0.0  0.26  0.16  1.0
  Pd  Pd3  1  0.78  0.94  0.94  1.0

Y Te Pd Pd
Y Te Pd Pd 0 2 o o o 0 3 o o o 1 3 o o o 