data_[Ca14Ag4Hg2N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.8384]
_cell_length_b [4.8384]
_cell_length_c [25.6667]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ca7Ag2HgN2]
_chemical_formula_sum '[Ca14 Ag4 Hg2 N4]'
_cell_volume [600.8486]
_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
[
  Ca  Ca0  8  0.0000  0.5000  0.0975  1.0
  Ca  Ca1  4  0.0000  0.0000  0.3049  1.0
  Ca  Ca2  2  0.0000  0.0000  0.5000  1.0
  Ag  Ag3  4  0.0000  0.0000  0.1835  1.0
  Hg  Hg4  2  0.0000  0.0000  0.0000  1.0
  N  N5  4  0.0000  0.0000  0.4002  1.0
]