data_[Sr12Hg2P4N2]
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
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.3805]
_cell_length_b [7.9674]
_cell_length_c [12.3938]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.7876]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr6HgP2N]
_chemical_formula_sum '[Sr12 Hg2 P4 N2]'
_cell_volume [619.4844]
_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  4  0.0504  0.0622  0.7212  1.0
  Sr  Sr1  4  0.2197  0.7080  0.5833  1.0
  Sr  Sr2  4  0.3560  0.1553  0.5700  1.0
  Hg  Hg3  2  0.5000  0.0000  0.0000  1.0
  P  P4  4  0.3183  0.1169  0.2703  1.0
  N  N5  2  0.0000  0.0000  0.5000  1.0
]