data_[Sr4Tl10Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [7.2151]
_cell_length_b [13.4125]
_cell_length_c [5.1215]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Sr2Tl5Hg]
_chemical_formula_sum '[Sr4 Tl10 Hg2]'
_cell_volume [495.6243]
_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
[
  Sr  Sr0  4  0.2346  0.6216  0.5000  1.0
  Tl  Tl1  4  0.0161  0.2507  0.0000  1.0
  Tl  Tl2  4  0.2342  0.8719  0.5000  1.0
  Tl  Tl3  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg4  2  0.0000  0.5000  0.0000  1.0
]