data_[Er8Ni2Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ni  1.9100  1.3500  0.7400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.9809]
_cell_length_b [7.0111]
_cell_length_c [6.8629]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.8362]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Er4NiHg]
_chemical_formula_sum '[Er8 Ni2 Hg2]'
_cell_volume [334.6988]
_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
[
  Er  Er0  4  0.1795  0.6461  0.8854  1
  Er  Er1  4  0.3567  0.1652  0.8143  1
  Ni  Ni2  2  0.5000  0.0000  0.5000  1
  Hg  Hg3  2  0.0000  0.0000  0.0000  1
]