data_[Er1Mg14Hg1]
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 [P4/mmm]
_cell_length_a [6.7393]
_cell_length_b [6.7393]
_cell_length_c [8.2430]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [ErMg14Hg]
_chemical_formula_sum '[Er1 Mg14 Hg1]'
_cell_volume [374.3824]
_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  0.5000  0.5000  0.5000  1
  Mg  Mg1  8  0.2443  0.2443  0.2486  1
  Mg  Mg2  2  0.0000  0.5000  0.0000  1
  Mg  Mg3  2  0.0000  0.5000  0.5000  1
  Mg  Mg4  1  0.0000  0.0000  0.0000  1
  Mg  Mg5  1  0.5000  0.5000  0.0000  1
  Hg  Hg6  1  0.0000  0.0000  0.5000  1
]