data_[Er2In4Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  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 [14.5357]
_cell_length_b [4.1735]
_cell_length_c [6.5164]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5447]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er(InPd4)2]
_chemical_formula_sum '[Er2 In4 Pd16]'
_cell_volume [376.9288]
_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
[
  Er  Er0  2  0.0000  0.5000  0.0000  1.0
  In  In1  4  0.2203  0.0000  0.6576  1.0
  Pd  Pd2  4  0.0397  0.0000  0.7226  1.0
  Pd  Pd3  4  0.0941  0.5000  0.4622  1.0
  Pd  Pd4  4  0.1417  0.0000  0.1945  1.0
  Pd  Pd5  4  0.1796  0.5000  0.9142  1.0
]