data_[Er16Hg4Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.6991]
_cell_length_b [5.1233]
_cell_length_c [6.7969]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3192]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er8Hg2Pd]
_chemical_formula_sum '[Er16 Hg4 Pd2]'
_cell_volume [599.7484]
_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  4  0.0240  0.0000  0.7739  1.0
  Er  Er1  4  0.0893  0.5000  0.4444  1.0
  Er  Er2  4  0.1558  0.5000  0.9658  1.0
  Er  Er3  4  0.2023  0.0000  0.3140  1.0
  Hg  Hg4  4  0.1904  0.0000  0.7360  1.0
  Pd  Pd5  2  0.0000  0.5000  0.0000  1.0
]