data_[Sr24Hg10N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Hg  2.0000  1.5000  1.2450
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.6989]
_cell_length_b [8.2599]
_cell_length_c [10.2325]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8329]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr12Hg5N2]
_chemical_formula_sum '[Sr24 Hg10 N4]'
_cell_volume [1439.1506]
_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
[
  Sr  Sr0  8  0.1474  0.2506  0.5698  1.0
  Sr  Sr1  8  0.1508  0.2553  0.0770  1.0
  Sr  Sr2  4  0.0013  0.5000  0.8198  1.0
  Sr  Sr3  4  0.0029  0.0000  0.8285  1.0
  Hg  Hg4  4  0.1963  0.5000  0.8413  1.0
  Hg  Hg5  4  0.1973  0.5000  0.3517  1.0
  Hg  Hg6  2  0.0000  0.0000  0.5000  1.0
  N  N7  4  0.0000  0.2395  0.0000  1.0
]