data_[Si3Hg3P3H3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  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 [R3m]
_cell_length_a [3.5305]
_cell_length_b [3.5305]
_cell_length_c [26.0019]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [SiHgPH]
_chemical_formula_sum '[Si3 Hg3 P3 H3]'
_cell_volume [280.6719]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.2708  1.0
  Hg  Hg1  3  0.0000  0.0000  0.1031  1.0
  P  P2  3  0.0000  0.0000  0.6422  1.0
  H  H3  3  0.0000  0.0000  0.2130  1.0
]