data_[Pr2Hg2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.0884]
_cell_length_b [5.0317]
_cell_length_c [6.6275]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4986]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrHgBr]
_chemical_formula_sum '[Pr2 Hg2 Br2]'
_cell_volume [192.5431]
_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  2  0.1750  0.2500  0.9151  1
  Hg  Hg1  2  0.0153  0.2500  0.3783  1
  Br  Br2  2  0.3853  0.7500  0.2023  1
]