data_[Er12Tm4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0362]
_cell_length_b [7.2443]
_cell_length_c [7.8281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5282]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er3TmHg]
_chemical_formula_sum '[Er12 Tm4 Hg4]'
_cell_volume [586.1097]
_cell_formula_units_Z [4]
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  0.1596  0.2498  0.1389  1.0
  Er  Er1  4  0.0600  0.5000  0.7387  1.0
  Tm  Tm2  4  0.0604  0.0000  0.7399  1.0
  Hg  Hg3  4  0.2485  0.0000  0.5001  1.0
]