data_[Sn4Hg28P16Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
  P  2.1900  1.0000  0.5500
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [12.7986]
_cell_length_b [12.7986]
_cell_length_c [12.7986]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [198]
_chemical_formula_structural [SnHg7(P2Br3)2]
_chemical_formula_sum '[Sn4 Hg28 P16 Br24]'
_cell_volume [2096.4824]
_cell_formula_units_Z [4]
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
[
  Sn  Sn0  4  0.2408  0.7408  0.7592  1
  Hg  Hg1  12  0.0011  0.2494  0.5681  1
  Hg  Hg2  12  0.0776  0.6775  0.3984  1
  Hg  Hg3  4  0.0393  0.9607  0.4607  1
  P  P4  4  0.0311  0.0311  0.0311  1
  P  P5  4  0.0684  0.4316  0.5684  1
  P  P6  4  0.0700  0.5700  0.9300  1
  P  P7  4  0.1487  0.8513  0.3513  1
  Br  Br8  12  0.0164  0.2358  0.8147  1
  Br  Br9  12  0.0564  0.2022  0.3089  1
]