data_[Pm1Tl1Hg2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9149]
_cell_length_b [8.1251]
_cell_length_c [9.6491]
_cell_angle_alpha [110.7629]
_cell_angle_beta [91.4141]
_cell_angle_gamma [96.6614]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [PmTl(HgBr4)2]
_chemical_formula_sum '[Pm1 Tl1 Hg2 Br8]'
_cell_volume [502.2369]
_cell_formula_units_Z [1]
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
[
  Pm  Pm0  1  0.0000  0.0000  0.0000  1
  Tl  Tl1  1  0.0000  0.0000  0.5000  1
  Hg  Hg2  2  0.4328  0.2654  0.3026  1
  Br  Br3  2  0.1746  0.8045  0.7301  1
  Br  Br4  2  0.2298  0.8768  0.1824  1
  Br  Br5  2  0.3062  0.3070  0.0635  1
  Br  Br6  2  0.3979  0.3084  0.5752  1
]