data_[Pr14Co4Hg4]
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 [Cmmm]
_cell_length_a [8.0378]
_cell_length_b [11.4691]
_cell_length_c [7.3020]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Pr7(CoHg)2]
_chemical_formula_sum '[Pr14 Co4 Hg4]'
_cell_volume [673.1408]
_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  0.2500  0.2500  0.2466  1.0
  Pr  Pr1  4  0.0000  0.5000  0.2353  1.0
  Pr  Pr2  2  0.0000  0.0000  0.0000  1.0
  Co  Co3  4  0.0000  0.2963  0.0000  1.0
  Hg  Hg4  4  0.1784  0.0000  0.5000  1.0
]