data_[Ti3Ni4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ni  1.9100  1.3500  0.7400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.3502]
_cell_length_b [3.7417]
_cell_length_c [7.8848]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.0885]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ti3(NiPd)4]
_chemical_formula_sum '[Ti3 Ni4 Pd4]'
_cell_volume [156.2730]
_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  0.1181  0.5000  0.2364  1
  Ti  Ti1  1  0.3594  0.0000  0.7488  1
  Ti  Ti2  1  0.6211  0.5000  0.2524  1
  Ni  Ni3  1  0.1610  0.5000  0.5655  1
  Ni  Ni4  1  0.3313  0.0000  0.0727  1
  Ni  Ni5  1  0.5426  0.5000  0.9230  1
  Ni  Ni6  1  0.9001  0.0000  0.4207  1
  Pd  Pd7  1  0.0595  0.5000  0.8811  1
  Pd  Pd8  1  0.3982  0.0000  0.4143  1
  Pd  Pd9  1  0.6832  0.5000  0.6152  1
  Pd  Pd10  1  0.8277  0.0000  0.0672  1
]