data_[Ti12Ga2Pd10]
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 [3.9739]
_cell_length_b [7.8849]
_cell_length_c [12.0036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ti6GaPd5]
_chemical_formula_sum '[Ti12 Ga2 Pd10]'
_cell_volume [376.1197]
_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  8  0.0000  0.2525  0.1673  1.0
  Ti  Ti1  4  0.0000  0.2447  0.5000  1.0
  Ga  Ga2  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd3  4  0.0000  0.0000  0.3309  1.0
  Pd  Pd4  4  0.0000  0.5000  0.3388  1.0
  Pd  Pd5  2  0.0000  0.5000  0.0000  1.0
]