data_[Er2Mg14Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Mg  1.3100  1.5000  0.8600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7189]
_cell_length_b [5.4465]
_cell_length_c [10.2719]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.7427]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErMg7Hg4]
_chemical_formula_sum '[Er2 Mg14 Hg8]'
_cell_volume [577.5430]
_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  2  0.0000  0.0000  0.0000  1
  Mg  Mg1  4  0.0645  0.0000  0.3658  1
  Mg  Mg2  4  0.1666  0.5000  0.5934  1
  Mg  Mg3  4  0.2186  0.0000  0.8899  1
  Mg  Mg4  2  0.0000  0.5000  0.0000  1
  Hg  Hg5  4  0.0725  0.5000  0.7771  1
  Hg  Hg6  4  0.2086  0.5000  0.3264  1
]