data_[Ti6Ga2Pd8]
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 [Pmn2_1]
_cell_length_a [9.3066]
_cell_length_b [5.5724]
_cell_length_c [4.8241]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Ti3GaPd4]
_chemical_formula_sum '[Ti6 Ga2 Pd8]'
_cell_volume [250.1790]
_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  0.2430  0.3514  0.5383  1.0
  Ti  Ti1  2  0.0000  0.9275  0.8250  1.0
  Ga  Ga2  2  0.0000  0.4275  0.8562  1.0
  Pd  Pd3  4  0.2462  0.1435  0.0333  1.0
  Pd  Pd4  2  0.0000  0.1473  0.3507  1.0
  Pd  Pd5  2  0.0000  0.6507  0.3403  1.0
]