data_SnTe2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54
_cell_length_b   6.54
_cell_length_c   5.0
_cell_angle_alpha   110.56
_cell_angle_beta   110.56
_cell_angle_gamma   34.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnTe2Pd
_chemical_formula_sum   'Sn1 Te2 Pd1'
_cell_volume   113.8
_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
  Sn  Sn1  1  0.32  0.0  0.33  1.0
  Te  Te2  1  0.65  0.0  0.95  1.0
  Te  Te3  1  0.99  0.0  0.71  1.0
  Pd  Pd0  1  0.0  0.0  0.0  1.0

data_SnTe2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   5.0
_cell_length_c   6.54
_cell_angle_alpha   110.56
_cell_angle_beta   107.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnTe2Pd
_chemical_formula_sum   'Sn1 Te2 Pd1'
_cell_volume   113.8
_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
  Sn  Sn0  1  0.0  0.33  0.32  1.0
  Te  Te1  1  0.0  0.71  0.99  1.0
  Te  Te2  1  0.0  0.95  0.65  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

Sn Te Te Pd
Sn Te Te Pd 0 3 o o o 1 3 + o + 2 3 + o + 