data_[Er12Sc4Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [9.9499]
_cell_length_b [9.9499]
_cell_length_c [5.1433]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Er6Sc2Hg]
_chemical_formula_sum '[Er12 Sc4 Hg2]'
_cell_volume [509.1870]
_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  0.0330  0.6807  0.0000  1.0
  Er  Er1  4  0.1293  0.1293  0.5000  1.0
  Sc  Sc2  4  0.2084  0.7916  0.5000  1.0
  Hg  Hg3  2  0.0000  0.0000  0.0000  1.0
]