data_TiMoPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.81
_cell_angle_alpha   99.5
_cell_angle_beta   99.5
_cell_angle_gamma   33.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMoPd2
_chemical_formula_sum   'Ti1 Mo1 Pd2'
_cell_volume   62.26
_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
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Mo  Mo0  1  0.27  0.0  0.37  1.0
  Pd  Pd1  1  0.72  0.0  0.55  1.0
  Pd  Pd2  1  0.82  0.0  0.19  1.0

data_TiMoPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.81
_cell_length_c   4.89
_cell_angle_alpha   99.5
_cell_angle_beta   106.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMoPd2
_chemical_formula_sum   'Ti1 Mo1 Pd2'
_cell_volume   62.26
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.0  0.37  0.27  1.0
  Pd  Pd2  1  0.0  0.19  0.82  1.0
  Pd  Pd3  1  0.0  0.55  0.72  1.0

Ti Mo Pd Pd