data_MgTiPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   5.27
_cell_angle_alpha   100.06
_cell_angle_beta   100.06
_cell_angle_gamma   38.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTiPd2
_chemical_formula_sum   'Mg1 Ti1 Pd2'
_cell_volume   65.6
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Ti  Ti3  1  0.8  0.0  0.59  1.0
  Pd  Pd1  1  0.41  0.0  0.84  1.0
  Pd  Pd2  1  0.18  0.0  0.35  1.0

data_MgTiPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.53
_cell_length_c   5.27
_cell_angle_alpha   100.06
_cell_angle_beta   90.0
_cell_angle_gamma   109.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTiPd2
_chemical_formula_sum   'Mg1 Ti1 Pd2'
_cell_volume   65.6
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Ti  Ti1  1  0.0  0.2  0.41  1.0
  Pd  Pd2  1  0.0  0.59  0.16  1.0
  Pd  Pd3  1  0.0  0.82  0.65  1.0

Mg Ti Pd Pd