data_[Sm1Er1Tl1Hg1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.7018]
_cell_length_b [3.7018]
_cell_length_c [7.8984]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [SmErTlHg]
_chemical_formula_sum '[Sm1 Er1 Tl1 Hg1]'
_cell_volume [108.2365]
_cell_formula_units_Z [1]
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
[
  Sm  Sm0  1  0.5000  0.5000  0.1086  1.0
  Er  Er1  1  0.5000  0.5000  0.5993  1.0
  Tl  Tl2  1  0.0000  0.0000  0.8487  1.0
  Hg  Hg3  1  0.0000  0.0000  0.3715  1.0
]