data_[Sm2Er2Hg12]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.0230]
_cell_length_b [6.7439]
_cell_length_c [11.4803]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [SmErHg6]
_chemical_formula_sum '[Sm2 Er2 Hg12]'
_cell_volume [388.8909]
_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
[
  Sm  Sm0  2  0.5000  0.0000  0.4104  1
  Er  Er1  2  0.0000  0.0000  0.0897  1
  Hg  Hg2  4  0.0000  0.2403  0.8337  1
  Hg  Hg3  4  0.5000  0.2462  0.6640  1
  Hg  Hg4  2  0.0000  0.0000  0.5828  1
  Hg  Hg5  2  0.5000  0.0000  0.9212  1
]