data_[Ti2In8Pd14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  In  1.7800  1.5500  0.9400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8145]
_cell_length_b [4.8259]
_cell_length_c [9.8089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.6859]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TiIn4Pd7]
_chemical_formula_sum '[Ti2 In8 Pd14]'
_cell_volume [449.0967]
_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  2  0.0000  0.0000  0.0000  1
  In  In1  4  0.0903  0.5000  0.7708  1
  In  In2  4  0.2453  0.0000  0.6685  1
  Pd  Pd3  4  0.0755  0.0000  0.2946  1
  Pd  Pd4  4  0.1378  0.5000  0.5202  1
  Pd  Pd5  4  0.2090  0.0000  0.9199  1
  Pd  Pd6  2  0.0000  0.5000  0.0000  1
]