data_[Cd2Hg2P4]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.0239]
_cell_length_b [3.2942]
_cell_length_c [7.0019]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6704]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CdHgP2]
_chemical_formula_sum '[Cd2 Hg2 P4]'
_cell_volume [181.2500]
_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
[
  Cd  Cd0  2  0.0408  0.5000  0.5333  1
  Hg  Hg1  2  0.2193  0.5000  0.2288  1
  P  P2  2  0.3252  0.0000  0.7669  1
  P  P3  2  0.4147  0.5000  0.9710  1
]