data_[Ti10Ga2Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ga  1.8100  1.3000  0.7600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.0623]
_cell_length_b [7.5363]
_cell_length_c [12.1814]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ti5GaPd6]
_chemical_formula_sum '[Ti10 Ga2 Pd12]'
_cell_volume [372.9318]
_cell_formula_units_Z [2]
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  4  0.0000  0.0000  0.3460  1.0
  Ti  Ti1  4  0.0000  0.5000  0.3220  1.0
  Ti  Ti2  2  0.0000  0.5000  0.0000  1.0
  Ga  Ga3  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd4  8  0.0000  0.2428  0.1678  1.0
  Pd  Pd5  4  0.0000  0.2694  0.5000  1.0
]