data_[Hg2P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.3233]
_cell_length_b [3.3227]
_cell_length_c [10.5640]
_cell_angle_alpha [89.2863]
_cell_angle_beta [88.7992]
_cell_angle_gamma [60.0743]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [HgP]
_chemical_formula_sum '[Hg2 P2]'
_cell_volume [101.0737]
_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  1  0.0253  0.3760  0.7940  1.0
  Hg  Hg1  1  0.3559  0.6617  0.0866  1.0
  P  P2  1  0.3779  0.7196  0.5095  1.0
  P  P3  1  0.7185  0.0539  0.3939  1.0
]