data_[Sr3Tl2Hg7]
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 [P2/m]
_cell_length_a [5.1106]
_cell_length_b [4.5658]
_cell_length_c [16.0159]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.4919]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sr3Tl2Hg7]
_chemical_formula_sum '[Sr3 Tl2 Hg7]'
_cell_volume [371.3160]
_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
[
  Sr  Sr0  2  0.1780  0.0000  0.3635  1.0
  Sr  Sr1  1  0.5000  0.5000  0.0000  1.0
  Tl  Tl2  2  0.3648  0.5000  0.7264  1.0
  Hg  Hg3  2  0.0824  0.5000  0.1554  1.0
  Hg  Hg4  2  0.2635  0.5000  0.5420  1.0
  Hg  Hg5  2  0.4409  0.0000  0.8505  1.0
  Hg  Hg6  1  0.0000  0.0000  0.0000  1.0
]