data_[Y12Er2Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6580]
_cell_length_b [3.7097]
_cell_length_c [11.8983]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6730]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y6ErHg2]
_chemical_formula_sum '[Y12 Er2 Hg4]'
_cell_volume [529.2961]
_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
[
  Y  Y0  4  0.0188  0.0000  0.3368  1
  Y  Y1  4  0.1873  0.5000  0.8766  1
  Y  Y2  4  0.1883  0.5000  0.5873  1
  Er  Er3  2  0.0000  0.0000  0.0000  1
  Hg  Hg4  4  0.1412  0.5000  0.1998  1
]