data_[Hg6As2P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pnc2]
_cell_length_a [19.9159]
_cell_length_b [5.0544]
_cell_length_c [10.7703]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [30]
_chemical_formula_structural [Hg3AsP]
_chemical_formula_sum '[Hg6 As2 P2]'
_cell_volume [1084.1693]
_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
[
  Hg  Hg0  4  0.1234  0.7317  0.8045  1
  Hg  Hg1  2  0.0000  0.0000  0.5688  1
  As  As2  2  0.0000  0.0000  0.9418  1
  P  P3  2  0.0000  0.0000  0.1454  1
]