data_[Pr2Tl4Hg2Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.6746]
_cell_length_b [10.6925]
_cell_length_c [7.5404]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [PrTl2HgSb2]
_chemical_formula_sum '[Pr2 Tl4 Hg2 Sb4]'
_cell_volume [376.8963]
_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  0.0000  0.4255  0.9748  1.0
  Tl  Tl1  2  0.0000  0.1693  0.3298  1.0
  Tl  Tl2  2  0.5000  0.0462  0.0474  1.0
  Hg  Hg3  2  0.5000  0.3205  0.6628  1.0
  Sb  Sb4  2  0.0000  0.1650  0.7565  1.0
  Sb  Sb5  2  0.5000  0.4064  0.2744  1.0
]