data_[Cd2Hg1P1]
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 [P4mm]
_cell_length_a [3.1489]
_cell_length_b [3.1489]
_cell_length_c [8.9100]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Cd2HgP]
_chemical_formula_sum '[Cd2 Hg1 P1]'
_cell_volume [88.3506]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.9777  1
  Cd  Cd1  1  0.5000  0.5000  0.2374  1
  Hg  Hg2  1  0.0000  0.0000  0.5075  1
  P  P3  1  0.5000  0.5000  0.7774  1
]