data_[Sr12Mg6Tl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.3196]
_cell_length_b [6.0719]
_cell_length_c [13.3941]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1877]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sr6Mg3Tl]
_chemical_formula_sum '[Sr12 Mg6 Tl2]'
_cell_volume [787.7061]
_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  2  0.1084  0.7500  0.8645  1
  Sr  Sr1  2  0.1410  0.7500  0.1657  1
  Sr  Sr2  2  0.1503  0.2500  0.6785  1
  Sr  Sr3  2  0.2375  0.7500  0.5032  1
  Sr  Sr4  2  0.3462  0.2500  0.3394  1
  Sr  Sr5  2  0.4844  0.7500  0.0871  1
  Mg  Mg6  2  0.2385  0.2500  0.0332  1
  Mg  Mg7  2  0.4056  0.7500  0.7832  1
  Mg  Mg8  2  0.4621  0.2500  0.6288  1
  Tl  Tl9  2  0.0540  0.2500  0.4004  1
]