data_TiMnPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.71
_cell_length_b   2.71
_cell_length_c   7.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMnPd2
_chemical_formula_sum   'Ti1 Mn1 Pd2'
_cell_volume   56.78
_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
  Mn  Mn0  1  0.0  0.0  0.88  1.0
  Pd  Pd1  1  0.89  0.0  0.73  1.0
  Pd  Pd2  1  0.89  0.0  0.03  1.0

data_TiMnPd2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.71
_cell_length_b   2.71
_cell_length_c   7.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TiMnPd2
_chemical_formula_sum   'Ti1 Mn1 Pd2'
_cell_volume   56.8
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Mn  Mn1  1  0.0  0.0  0.88  1.0
  Pd  Pd2  1  0.89  0.0  0.03  1.0
  Pd  Pd3  1  0.89  0.0  0.73  1.0

Ti Mn Pd Pd