data_[Er4Lu6Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Lu  1.2700  1.7500  1.0010
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.5211]
_cell_length_b [7.0268]
_cell_length_c [10.8084]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Er2(LuHg)3]
_chemical_formula_sum '[Er4 Lu6 Hg6]'
_cell_volume [419.3189]
_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  0.0000  0.3090  1
  Er  Er1  2  0.5000  0.0000  0.6694  1
  Lu  Lu2  4  0.5000  0.2432  0.9239  1
  Lu  Lu3  2  0.0000  0.0000  0.8504  1
  Hg  Hg4  4  0.0000  0.2205  0.5756  1
  Hg  Hg5  2  0.5000  0.0000  0.1721  1
]