data_[Mg2Sn4Hg2P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.9456]
_cell_length_b [5.9456]
_cell_length_c [11.6798]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [MgSn2HgP4]
_chemical_formula_sum '[Mg2 Sn4 Hg2 P8]'
_cell_volume [412.8792]
_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
[
  Mg  Mg0  2  0.0000  0.5000  0.2500  1
  Sn  Sn1  2  0.0000  0.0000  0.5000  1
  Sn  Sn2  2  0.0000  0.5000  0.7500  1
  Hg  Hg3  2  0.0000  0.0000  0.0000  1
  P  P4  8  0.2460  0.2462  0.6267  1
]