data_[Er4Cd3Hg1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.6265]
_cell_length_b [4.8642]
_cell_length_c [11.7959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Er4Cd3Hg]
_chemical_formula_sum '[Er4 Cd3 Hg1]'
_cell_volume [208.0806]
_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  1  0.0000  0.0000  0.1565  1
  Er  Er1  1  0.0000  0.5000  0.8431  1
  Er  Er2  1  0.5000  0.0000  0.6599  1
  Er  Er3  1  0.5000  0.5000  0.3389  1
  Cd  Cd4  1  0.0000  0.0000  0.4248  1
  Cd  Cd5  1  0.0000  0.5000  0.5742  1
  Cd  Cd6  1  0.5000  0.0000  0.9242  1
  Hg  Hg7  1  0.5000  0.5000  0.0784  1
]