data_[Pr16Co4Hg2]
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 [C2/m]
_cell_length_a [8.5904]
_cell_length_b [13.8814]
_cell_length_c [5.7575]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5747]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8Co2Hg]
_chemical_formula_sum '[Pr16 Co4 Hg2]'
_cell_volume [661.3499]
_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
[
  Pr  Pr0  8  0.2122  0.1277  0.0602  1.0
  Pr  Pr1  4  0.0000  0.2425  0.5000  1.0
  Pr  Pr2  4  0.1062  0.5000  0.3083  1.0
  Co  Co3  4  0.0000  0.2850  0.0000  1.0
  Hg  Hg4  2  0.0000  0.0000  0.5000  1.0
]