data_[Ti10Ga12Pd2]
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 [Cmmm]
_cell_length_a [3.9746]
_cell_length_b [12.2830]
_cell_length_c [7.7634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ti5Ga6Pd]
_chemical_formula_sum '[Ti10 Ga12 Pd2]'
_cell_volume [379.0098]
_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  0.3313  0.0000  1.0
  Ti  Ti1  4  0.0000  0.3384  0.5000  1.0
  Ti  Ti2  2  0.0000  0.0000  0.5000  1.0
  Ga  Ga3  8  0.0000  0.1676  0.2482  1.0
  Ga  Ga4  4  0.0000  0.5000  0.2453  1.0
  Pd  Pd5  2  0.0000  0.0000  0.0000  1.0
]