data_[La1In6Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  In  1.7800  1.5500  0.9400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [7.8730]
_cell_length_b [7.8730]
_cell_length_c [4.3973]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [La(In3Pd2)2]
_chemical_formula_sum '[La1 In6 Pd4]'
_cell_volume [236.0471]
_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
[
  La  La0  1  0.0000  0.0000  0.0000  1
  In  In1  3  0.1954  0.3908  0.5000  1
  In  In2  3  0.5346  0.0691  0.0000  1
  Pd  Pd3  3  0.4109  0.2054  0.5000  1
  Pd  Pd4  1  0.3333  0.6667  0.0000  1
]