data_BiTePd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.04
_cell_angle_alpha   101.35
_cell_angle_beta   101.35
_cell_angle_gamma   41.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiTePd2
_chemical_formula_sum   'Bi1 Te1 Pd2'
_cell_volume   86.99
_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
  Bi  Bi0  1  0.03  0.0  0.94  1.0
  Te  Te3  1  0.31  0.0  0.9  1.0
  Pd  Pd1  1  0.02  0.0  0.0  1.0
  Pd  Pd2  1  0.63  0.0  0.55  1.0

data_BiTePd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   5.04
_cell_length_c   5.19
_cell_angle_alpha   101.35
_cell_angle_beta   110.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiTePd2
_chemical_formula_sum   'Bi1 Te1 Pd2'
_cell_volume   86.99
_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
  Bi  Bi0  1  0.0  0.94  0.03  1.0
  Te  Te1  1  0.0  0.9  0.31  1.0
  Pd  Pd2  1  0.0  0.0  0.02  1.0
  Pd  Pd3  1  0.0  0.55  0.63  1.0

Bi Te Pd Pd