data_TlMo2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   4.68
_cell_angle_alpha   102.42
_cell_angle_beta   102.42
_cell_angle_gamma   35.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlMo2Pd
_chemical_formula_sum   'Tl1 Mo2 Pd1'
_cell_volume   70.93
_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
  Tl  Tl3  1  0.4  0.0  0.28  1.0
  Mo  Mo0  1  0.68  0.0  0.61  1.0
  Mo  Mo1  1  0.11  0.0  0.94  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0

data_TlMo2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   4.68
_cell_length_c   5.17
_cell_angle_alpha   102.42
_cell_angle_beta   107.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlMo2Pd
_chemical_formula_sum   'Tl1 Mo2 Pd1'
_cell_volume   70.93
_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
  Tl  Tl0  1  0.0  0.28  0.4  1.0
  Mo  Mo1  1  0.0  0.61  0.68  1.0
  Mo  Mo2  1  0.0  0.94  0.11  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

Tl Mo Mo Pd