data_[Pr12Co4Hg2Br6]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.1165]
_cell_length_b [4.0563]
_cell_length_c [9.3032]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5710]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6Co2HgBr3]
_chemical_formula_sum '[Pr12 Co4 Hg2 Br6]'
_cell_volume [719.5996]
_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  0.0351  0.0000  0.2699  1.0
  Pr  Pr1  4  0.1644  0.5000  0.1376  1.0
  Pr  Pr2  4  0.1853  0.5000  0.5685  1.0
  Co  Co3  4  0.1724  0.0000  0.3485  1.0
  Hg  Hg4  2  0.0000  0.5000  0.0000  1.0
  Br  Br5  4  0.1689  0.0000  0.8421  1.0
  Br  Br6  2  0.0000  0.5000  0.5000  1.0
]