data_[Pr12Co2Hg4]
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 [P2_1/c]
_cell_length_a [7.2787]
_cell_length_b [7.4173]
_cell_length_c [12.7123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.5883]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr6CoHg2]
_chemical_formula_sum '[Pr12 Co2 Hg4]'
_cell_volume [571.7230]
_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  4  0.1600  0.2074  0.4558  1.0
  Pr  Pr1  4  0.2514  0.7011  0.4544  1.0
  Pr  Pr2  4  0.3493  0.0024  0.2513  1.0
  Co  Co3  2  0.5000  0.0000  0.5000  1.0
  Hg  Hg4  4  0.2155  0.0686  0.7426  1.0
]