data_[Fe2Hg2P2H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  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 [Cm]
_cell_length_a [7.4913]
_cell_length_b [2.9905]
_cell_length_c [5.2775]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7611]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [FeHgPH]
_chemical_formula_sum '[Fe2 Hg2 P2 H2]'
_cell_volume [115.7471]
_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
[
  Fe  Fe0  2  0.3451  0.5000  0.6649  1
  Hg  Hg1  2  0.3550  0.5000  0.1599  1
  P  P2  2  0.0508  0.5000  0.6913  1
  H  H3  2  0.1722  0.5000  0.4314  1
]