data_[Cd4Hg4P4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4397]
_cell_length_b [5.8499]
_cell_length_c [6.8552]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7689]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CdHgPO4]
_chemical_formula_sum '[Cd4 Hg4 P4 O16]'
_cell_volume [452.1047]
_cell_formula_units_Z [4]
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
[
  Cd  Cd0  4  0.1899  0.5000  0.8450  1.0
  Hg  Hg1  4  0.1108  0.0000  0.4948  1.0
  P  P2  4  0.1326  0.5000  0.2577  1.0
  O  O3  8  0.1738  0.2864  0.1501  1.0
  O  O4  4  0.0006  0.5000  0.2626  1.0
  O  O5  4  0.1984  0.5000  0.4828  1.0
]