data_[Ca1Pm2Cd3Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pm  1.1300  1.8500  1.1100
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3724]
_cell_length_b [4.3724]
_cell_length_c [16.6289]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [CaPm2(CdHg2)3]
_chemical_formula_sum '[Ca1 Pm2 Cd3 Hg6]'
_cell_volume [317.9037]
_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
[
  Ca  Ca0  1  0.5000  0.5000  0.5000  1
  Pm  Pm1  2  0.5000  0.5000  0.1162  1
  Cd  Cd2  2  0.0000  0.0000  0.4165  1
  Cd  Cd3  1  0.0000  0.0000  0.0000  1
  Hg  Hg4  4  0.0000  0.5000  0.2975  1
  Hg  Hg5  2  0.0000  0.0000  0.1716  1
]