data_[Er4Al2Hg5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Al  1.6100  1.2500  0.6750
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.7728]
_cell_length_b [3.6632]
_cell_length_c [9.3437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9143]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Er4Al2Hg5]
_chemical_formula_sum '[Er4 Al2 Hg5]'
_cell_volume [266.0121]
_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
[
  Er  Er0  2  0.1997  0.5000  0.8679  1.0
  Er  Er1  2  0.2541  0.5000  0.4089  1.0
  Al  Al2  2  0.0650  0.0000  0.6248  1.0
  Hg  Hg3  2  0.1396  0.0000  0.1366  1.0
  Hg  Hg4  2  0.4263  0.0000  0.6628  1.0
  Hg  Hg5  1  0.5000  0.0000  0.0000  1.0
]