data_[Er3Ag7Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.4294]
_cell_length_b [3.7725]
_cell_length_c [16.0272]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.8196]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Er3Ag7Hg2]
_chemical_formula_sum '[Er3 Ag7 Hg2]'
_cell_volume [265.3212]
_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  0.1804  0.0000  0.3693  1
  Er  Er1  1  0.5000  0.5000  0.0000  1
  Ag  Ag2  2  0.0652  0.5000  0.1520  1
  Ag  Ag3  2  0.2734  0.5000  0.5472  1
  Ag  Ag4  2  0.4415  0.0000  0.8552  1
  Ag  Ag5  1  0.0000  0.0000  0.0000  1
  Hg  Hg6  2  0.3681  0.5000  0.7203  1
]