data_[Ce4Pm4Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pm  1.1300  1.8500  1.1100
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.1758]
_cell_length_b [6.5356]
_cell_length_c [10.8611]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.9218]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CePmHg3]
_chemical_formula_sum '[Ce4 Pm4 Hg12]'
_cell_volume [534.5182]
_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
[
  Ce  Ce0  4  0.1388  0.6465  0.0333  1
  Pm  Pm1  4  0.3813  0.1727  0.8474  1
  Hg  Hg2  4  0.0033  0.0270  0.2295  1
  Hg  Hg3  4  0.2348  0.1197  0.0688  1
  Hg  Hg4  4  0.3962  0.6651  0.8513  1
]