data_[Er4Zn2Hg5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.6261]
_cell_length_b [3.6299]
_cell_length_c [9.4700]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.1331]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Er4Zn2Hg5]
_chemical_formula_sum '[Er4 Zn2 Hg5]'
_cell_volume [261.9659]
_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  0.1875  0.5000  0.8660  1.0
  Er  Er1  2  0.2528  0.5000  0.4218  1.0
  Zn  Zn2  2  0.0626  0.0000  0.6256  1.0
  Hg  Hg3  2  0.1546  0.0000  0.1443  1.0
  Hg  Hg4  2  0.4319  0.0000  0.6728  1.0
  Hg  Hg5  1  0.5000  0.0000  0.0000  1.0
]