data_[Li2Ti2Ga2Co1Pd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ti  1.5400  1.4000  0.8517
  Ga  1.8100  1.3000  0.7600
  Co  1.8800  1.3500  0.7683
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.2046]
_cell_length_b [4.2046]
_cell_length_c [6.1167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Li2Ti2Ga2CoPd]
_chemical_formula_sum '[Li2 Ti2 Ga2 Co1 Pd1]'
_cell_volume [108.1368]
_cell_formula_units_Z [1]
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
[
  Li  Li0  1  0.0000  0.0000  0.0000  1
  Li  Li1  1  0.5000  0.5000  0.5000  1
  Ti  Ti2  2  0.0000  0.5000  0.2704  1
  Ga  Ga3  2  0.0000  0.5000  0.7356  1
  Co  Co4  1  0.0000  0.0000  0.5000  1
  Pd  Pd5  1  0.5000  0.5000  0.0000  1
]