data_[Pr2Hg2Bi6]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.3576]
_cell_length_b [4.4402]
_cell_length_c [8.4280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6234]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrHgBi3]
_chemical_formula_sum '[Pr2 Hg2 Bi6]'
_cell_volume [312.7371]
_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  0.2576  0.7500  0.2424  1
  Hg  Hg1  2  0.1329  0.2500  0.5491  1
  Bi  Bi2  2  0.0551  0.7500  0.8755  1
  Bi  Bi3  2  0.3774  0.2500  0.9448  1
  Bi  Bi4  2  0.4458  0.7500  0.6199  1
]