data_[Er16Hg2Pt4]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.5850]
_cell_length_b [13.2984]
_cell_length_c [5.4478]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2639]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er8HgPt2]
_chemical_formula_sum '[Er16 Hg2 Pt4]'
_cell_volume [600.0192]
_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  8  0.2051  0.1296  0.5856  1
  Er  Er1  4  0.0000  0.2421  0.0000  1
  Er  Er2  4  0.1163  0.5000  0.8070  1
  Hg  Hg3  2  0.0000  0.0000  0.0000  1
  Pt  Pt4  4  0.0000  0.3019  0.5000  1
]