data_[Pr16Co8Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Co  1.8800  1.3500  0.7683
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [8.5818]
_cell_length_b [15.1699]
_cell_length_c [7.0161]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.5167]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Pr4Co2Hg]
_chemical_formula_sum '[Pr16 Co8 Hg4]'
_cell_volume [724.4820]
_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
[
  Pr  Pr0  4  0.0021  0.2863  0.4187  1.0
  Pr  Pr1  4  0.0730  0.0751  0.7135  1.0
  Pr  Pr2  4  0.0836  0.4799  0.0747  1.0
  Pr  Pr3  4  0.3281  0.7857  0.7647  1.0
  Co  Co4  4  0.1874  0.3423  0.8708  1.0
  Co  Co5  4  0.2806  0.0905  0.5485  1.0
  Hg  Hg6  4  0.4211  0.3827  0.6092  1.0
]