data_[Sr2Mg5Tl5]
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 [Pmmm]
_cell_length_a [5.0258]
_cell_length_b [6.3237]
_cell_length_c [11.0403]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Sr2(MgTl)5]
_chemical_formula_sum '[Sr2 Mg5 Tl5]'
_cell_volume [350.8751]
_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  1  0.0000  0.0000  0.5000  1.0
  Sr  Sr1  1  0.0000  0.5000  0.0000  1.0
  Mg  Mg2  4  0.5000  0.2509  0.2503  1.0
  Mg  Mg3  1  0.5000  0.5000  0.5000  1.0
  Tl  Tl4  2  0.0000  0.0000  0.1858  1.0
  Tl  Tl5  2  0.0000  0.5000  0.3381  1.0
  Tl  Tl6  1  0.5000  0.0000  0.0000  1.0
]