data_[Si1Ni1Hg1P1H1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
  Hg  2.0000  1.5000  1.2450
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [2.7011]
_cell_length_b [5.2798]
_cell_length_c [6.0215]
_cell_angle_alpha [111.0114]
_cell_angle_beta [97.4682]
_cell_angle_gamma [90.3779]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SiNiHgPH]
_chemical_formula_sum '[Si1 Ni1 Hg1 P1 H1]'
_cell_volume [79.3543]
_cell_formula_units_Z [1]
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
[
  Si  Si0  1  0.5971  0.1918  0.1590  1
  Ni  Ni1  1  0.1493  0.5788  0.3098  1
  Hg  Hg2  1  0.2808  0.6567  0.8095  1
  P  P3  1  0.6772  0.9315  0.3942  1
  H  H4  1  0.7511  0.1097  0.6424  1
]