data_[La6In6Pd4]
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 [C2/m]
_cell_length_a [17.4430]
_cell_length_b [4.7142]
_cell_length_c [5.3538]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0720]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3In3Pd2]
_chemical_formula_sum '[La6 In6 Pd4]'
_cell_volume [430.5110]
_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
[
  La  La0  4  0.1588  0.0000  0.5936  1.0
  La  La1  2  0.0000  0.0000  0.0000  1.0
  In  In2  4  0.1374  0.5000  0.0823  1.0
  In  In3  2  0.0000  0.5000  0.5000  1.0
  Pd  Pd4  4  0.2251  0.0000  0.1345  1.0
]